4-{5-[(cyclohexylamino)methyl]furan-2-yl}benzoic acid

4-{5-[(cyclohexylamino)methyl]furan-2-yl}benzoic acid

Formula: C18H21NO3

SMILES: OC(=O)C1=CC=C(C=C1)C1=CC=C(CNC2CCCCC2)O1

IUPAC: 4-{5-[(cyclohexylamino)methyl]furan-2-yl}benzoic acid

InChI: InChI=1S/C18H21NO3/c20-18(21)14-8-6-13(7-9-14)17-11-10-16(22-17)12-19-15-4-2-1-3-5-15/h6-11,15,19H,1-5,12H2,(H,20,21)

Composition: C (72.22%), H (7.07%), N (4.68%), O (16.03%)

Molar Mass: 299.37

Atom Count: 43

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	299.15214354
Formal Charge	0
FSP3	0.39
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	GHEHOCRQYMFHCT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.98
Topological Polar Surface Area	62.47
Polarizability	34.16
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H21NO3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00