N-carbamoyl-4-phenyl-N-quinolin-3-ylbutanamide

C20H19N3O2 — CID 173151879

IUPACN-carbamoyl-4-phenyl-N-quinolin-3-ylbutanamide
SMILESNC(=O)N(C(=O)CCCc1ccccc1)c1cnc2ccccc2c1
InChIInChI=1S/C20H19N3O2/c21-20(25)23(17-13-16-10-4-5-11-18(16)22-14-17)19(24)12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,13-14H,6,9,12H2,(H2,21,25)
InChIKeyYJBVHVQLCQNKIB-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.67
Rot. Bonds5

About N-carbamoyl-4-phenyl-N-quinolin-3-ylbutanamide

N-carbamoyl-4-phenyl-N-quinolin-3-ylbutanamide (PubChem CID 173151879) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-carbamoyl-4-phenyl-N-quinolin-3-ylbutanamide.

Molecular Properties

Compound NameN-carbamoyl-4-phenyl-N-quinolin-3-ylbutanamide
PubChem CID173151879
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-carbamoyl-4-phenyl-N-quinolin-3-ylbutanamide
SMILESNC(=O)N(C(=O)CCCc1ccccc1)c1cnc2ccccc2c1
InChIInChI=1S/C20H19N3O2/c21-20(25)23(17-13-16-10-4-5-11-18(16)22-14-17)19(24)12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,13-14H,6,9,12H2,(H2,21,25)
InChIKeyYJBVHVQLCQNKIB-UHFFFAOYSA-N
XLogP3.67
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-carbamoyl-4-phenyl-N-quinolin-3-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-N'-quinolin-3-ylpropanehydrazide
CID 71618065
tert-butyl N-(2-aminoquinolin-3-yl)-N-(5-phenylpentanoyl)carbamate
CID 57310082
(2S)-5-amino-2-[(2-aminoacetyl)-(2-phenylethyl)amino]pentanoic acid;quinoline-3-carboxamide
CID 159057017
N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide
CID 110745516
3-phenyl-N-(quinolin-3-ylcarbamoyl)propanamide
CID 69378485
2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide
CID 91168668
4-phenyl-1-quinolin-8-ylbutan-1-one
CID 105093201
1-hydroxy-1-(2-phenylethyl)urea
CID 10241398
N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide
CID 42706224
ethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate
CID 165352865
quinoline-3-carboxamide;hydrofluoride
CID 174911514
1-amino-1-(4-phenylbutyl)urea
CID 170908979

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-4-phenyl-N-quinolin-3-ylbutanamide?
The IUPAC name of N-carbamoyl-4-phenyl-N-quinolin-3-ylbutanamide (CID 173151879) is N-carbamoyl-4-phenyl-N-quinolin-3-ylbutanamide.
What is the SMILES notation for N-carbamoyl-4-phenyl-N-quinolin-3-ylbutanamide?
The canonical SMILES for N-carbamoyl-4-phenyl-N-quinolin-3-ylbutanamide is NC(=O)N(C(=O)CCCc1ccccc1)c1cnc2ccccc2c1.
What is the InChIKey of N-carbamoyl-4-phenyl-N-quinolin-3-ylbutanamide?
The InChIKey is YJBVHVQLCQNKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c21-20(25)23(17-13-16-10-4-5-11-18(16)22-14-17)19(24)12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,13-14H,6,9,12H2,(H2,21,25).
What are the key properties of N-carbamoyl-4-phenyl-N-quinolin-3-ylbutanamide?
N-carbamoyl-4-phenyl-N-quinolin-3-ylbutanamide has a molecular weight of 333.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-4-phenyl-N-quinolin-3-ylbutanamide is sourced from PubChem (CID 173151879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).