1,3-dimethyl 5-(2-phenylbutanamido)benzene-1,3-dicarboxylate

1,3-dimethyl 5-(2-phenylbutanamido)benzene-1,3-dicarboxylate

Formula: C20H21NO5

SMILES: CCC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)C1=CC=CC=C1

IUPAC: 1,3-dimethyl 5-(2-phenylbutanamido)benzene-1,3-dicarboxylate

InChI: InChI=1/C20H21NO5/c1-4-17(13-8-6-5-7-9-13)18(22)21-16-11-14(19(23)25-2)10-15(12-16)20(24)26-3/h5-12,17H,4H2,1-3H3,(H,21,22)

Composition: C (67.59%), H (5.96%), N (3.94%), O (22.51%)

Molar Mass: 355.39

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	355.14197278
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YVMDNDJNXBJNOP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.87
Topological Polar Surface Area	81.7
Polarizability	37.33
Ring Count	2
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H21NO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00