3-[4-(1H-indol-3-yl)butanamido]benzoic acid

3-[4-(1H-indol-3-yl)butanamido]benzoic acid

Formula: C19H18N2O3

SMILES: OC(=O)C1=CC(NC(=O)CCCC2=CNC3=CC=CC=C23)=CC=C1

IUPAC: 3-[4-(1H-indol-3-yl)butanamido]benzoic acid

InChI: InChI=1S/C19H18N2O3/c22-18(21-15-7-3-5-13(11-15)19(23)24)10-4-6-14-12-20-17-9-2-1-8-16(14)17/h1-3,5,7-9,11-12,20H,4,6,10H2,(H,21,22)(H,23,24)

Composition: C (70.79%), H (5.63%), N (8.69%), O (14.89%)

Molar Mass: 322.364

Atom Count: 42

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	322.131742448
Formal Charge	0
FSP3	0.16
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	DQPUREQCIRMCNZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.19
Topological Polar Surface Area	82.19
Polarizability	36.01
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H18N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00