2-{[4-(diethylcarbamoyl)phenyl]carbamoyl}cyclohexane-1-carboxylic acid

2-{[4-(diethylcarbamoyl)phenyl]carbamoyl}cyclohexane-1-carboxylic acid

CAS: 940467-01-6

Formula: C19H26N2O4

SMILES: CCN(CC)C(=O)C1=CC=C(NC(=O)C2CCCCC2C(O)=O)C=C1

IUPAC: 2-{[4-(diethylcarbamoyl)phenyl]carbamoyl}cyclohexane-1-carboxylic acid

InChI: InChI=1/C19H26N2O4/c1-3-21(4-2)18(23)13-9-11-14(12-10-13)20-17(22)15-7-5-6-8-16(15)19(24)25/h9-12,15-16H,3-8H2,1-2H3,(H,20,22)(H,24,25)

Composition: C (65.88%), H (7.57%), N (8.09%), O (18.47%)

Molar Mass: 346.427

Atom Count: 51

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	346.189257325
Formal Charge	0
FSP3	0.53
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	UDFDHFMNSUOURS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.73
Topological Polar Surface Area	86.71
Polarizability	36.27
Ring Count	2
Rotatable Bond Count	6

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