(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide

C15H21N3O2 — CID 26551728

IUPAC(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)[C@H](C)N1CCCc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-3-16-15(20)17-14(19)11(2)18-10-6-8-12-7-4-5-9-13(12)18/h4-5,7,9,11H,3,6,8,10H2,1-2H3,(H2,16,17,19,20)/t11-/m0/s1
InChIKeyVXDSHZGKUYJDQO-NSHDSACASA-N
MW275.35 g/mol
LogP1.67
Rot. Bonds3

About (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide

(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide (PubChem CID 26551728) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide
PubChem CID26551728
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)[C@H](C)N1CCCc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-3-16-15(20)17-14(19)11(2)18-10-6-8-12-7-4-5-9-13(12)18/h4-5,7,9,11H,3,6,8,10H2,1-2H3,(H2,16,17,19,20)/t11-/m0/s1
InChIKeyVXDSHZGKUYJDQO-NSHDSACASA-N
XLogP1.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(propan-2-ylcarbamoyl)propanamide
CID 51242293
N-(cyclopropylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 51281393
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 46646494
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800848
2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
CID 12730427
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 9249754
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 24506586
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 9249756
N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 46804829
(2R)-N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 9249760

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide (CID 26551728) is (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)[C@H](C)N1CCCc2ccccc21.
What is the InChIKey of (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide?
The InChIKey is VXDSHZGKUYJDQO-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-16-15(20)17-14(19)11(2)18-10-6-8-12-7-4-5-9-13(12)18/h4-5,7,9,11H,3,6,8,10H2,1-2H3,(H2,16,17,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide?
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 26551728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).