1-(2H-1,3-benzodioxol-5-yl)-3-[(4-cyclohexylphenyl)amino]propan-1-one

1-(2H-1,3-benzodioxol-5-yl)-3-[(4-cyclohexylphenyl)amino]propan-1-one

CAS: 882748-71-2

Formula: C22H25NO3

SMILES: O=C(CCNC1=CC=C(C=C1)C1CCCCC1)C1=CC2=C(OCO2)C=C1

IUPAC: 1-(2H-1,3-benzodioxol-5-yl)-3-[(4-cyclohexylphenyl)amino]propan-1-one

InChI: InChI=1S/C22H25NO3/c24-20(18-8-11-21-22(14-18)26-15-25-21)12-13-23-19-9-6-17(7-10-19)16-4-2-1-3-5-16/h6-11,14,16,23H,1-5,12-13,15H2

Composition: C (75.19%), H (7.17%), N (3.99%), O (13.66%)

Molar Mass: 351.446

Atom Count: 51

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	351.183443669
Formal Charge	0
FSP3	0.41
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BLQVQMILAVHJIM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.81
Topological Polar Surface Area	47.56
Polarizability	39.34
Ring Count	4
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	882748-71-2		$51.35-$524.40$51.35$63.37$86.31$524.40