(2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide

C23H29N3O2 — CID 119763740

IUPAC(2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C23H29N3O2/c1-16(2)14-20(24)23(28)25-19-11-9-17(10-12-19)15-22(27)26-13-5-7-18-6-3-4-8-21(18)26/h3-4,6,8-12,16,20H,5,7,13-15,24H2,1-2H3,(H,25,28)/t20-/m0/s1
InChIKeyCOHPXCCVUMXZRC-FQEVSTJZSA-N
MW379.50 g/mol
LogP3.52
Rot. Bonds6

About (2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide

(2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide (PubChem CID 119763740) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide
PubChem CID119763740
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C23H29N3O2/c1-16(2)14-20(24)23(28)25-19-11-9-17(10-12-19)15-22(27)26-13-5-7-18-6-3-4-8-21(18)26/h3-4,6,8-12,16,20H,5,7,13-15,24H2,1-2H3,(H,25,28)/t20-/m0/s1
InChIKeyCOHPXCCVUMXZRC-FQEVSTJZSA-N
XLogP3.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide with MolForge

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Related Compounds

N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653
1-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
CID 119763704
1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea
CID 60613753
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 166192642
ethyl 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]-2,3-dihydroxy-4-oxobutanoate
CID 167784622
(2R)-2-amino-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylpentanamide
CID 124646368
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]propanamide;hydrochloride
CID 119302463
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 119312008
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide
CID 154860717
(2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride
CID 119749397
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)guanidine
CID 111079047

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide (CID 119763740) is (2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide?
The InChIKey is COHPXCCVUMXZRC-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16(2)14-20(24)23(28)25-19-11-9-17(10-12-19)15-22(27)26-13-5-7-18-6-3-4-8-21(18)26/h3-4,6,8-12,16,20H,5,7,13-15,24H2,1-2H3,(H,25,28)/t20-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide?
(2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide has a molecular weight of 379.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide is sourced from PubChem (CID 119763740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).