N-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C23H28N2O2 — CID 43042321

IUPACN-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C23H28N2O2/c1-3-17(2)25(16-18-9-5-4-6-10-18)22(26)14-13-20-15-19-11-7-8-12-21(19)24-23(20)27/h4-12,17,20H,3,13-16H2,1-2H3,(H,24,27)
InChIKeyDANPEBWPZWGEJK-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.40
Rot. Bonds7

About N-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 43042321) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID43042321
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C23H28N2O2/c1-3-17(2)25(16-18-9-5-4-6-10-18)22(26)14-13-20-15-19-11-7-8-12-21(19)24-23(20)27/h4-12,17,20H,3,13-16H2,1-2H3,(H,24,27)
InChIKeyDANPEBWPZWGEJK-UHFFFAOYSA-N
XLogP4.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid
CID 119203368
3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135949301
(2S)-3-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid
CID 119359510
(2S,3S)-3-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoic acid
CID 119194338
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 111543322
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
N-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18142208
N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16622329
N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 55592669
N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 18162223
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 25473622
N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 30211328

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 43042321) is N-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is CCC(C)N(Cc1ccccc1)C(=O)CCC1Cc2ccccc2NC1=O.
What is the InChIKey of N-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is DANPEBWPZWGEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-17(2)25(16-18-9-5-4-6-10-18)22(26)14-13-20-15-19-11-7-8-12-21(19)24-23(20)27/h4-12,17,20H,3,13-16H2,1-2H3,(H,24,27).
What are the key properties of N-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 364.49 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 43042321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).