4-acetamido-N-octyl-N-(quinolin-3-ylmethyl)butanamide

C24H35N3O2 — CID 42797094

IUPAC4-acetamido-N-octyl-N-(quinolin-3-ylmethyl)butanamide
SMILESCCCCCCCCN(Cc1cnc2ccccc2c1)C(=O)CCCNC(C)=O
InChIInChI=1S/C24H35N3O2/c1-3-4-5-6-7-10-16-27(24(29)14-11-15-25-20(2)28)19-21-17-22-12-8-9-13-23(22)26-18-21/h8-9,12-13,17-18H,3-7,10-11,14-16,19H2,1-2H3,(H,25,28)
InChIKeyPSZNQABPMRVXHW-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.84
Rot. Bonds13

About 4-acetamido-N-octyl-N-(quinolin-3-ylmethyl)butanamide

4-acetamido-N-octyl-N-(quinolin-3-ylmethyl)butanamide (PubChem CID 42797094) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 4-acetamido-N-octyl-N-(quinolin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-acetamido-N-octyl-N-(quinolin-3-ylmethyl)butanamide
PubChem CID42797094
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name4-acetamido-N-octyl-N-(quinolin-3-ylmethyl)butanamide
SMILESCCCCCCCCN(Cc1cnc2ccccc2c1)C(=O)CCCNC(C)=O
InChIInChI=1S/C24H35N3O2/c1-3-4-5-6-7-10-16-27(24(29)14-11-15-25-20(2)28)19-21-17-22-12-8-9-13-23(22)26-18-21/h8-9,12-13,17-18H,3-7,10-11,14-16,19H2,1-2H3,(H,25,28)
InChIKeyPSZNQABPMRVXHW-UHFFFAOYSA-N
XLogP4.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide
CID 42797092
1-quinolin-3-yloctan-1-one
CID 114963108
4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110745532
N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide
CID 42706224
N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide
CID 110745516
N-hexyl-2-methylquinoline-3-carboxamide
CID 110489615
2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
N-benzyl-2-bromo-N-hexylacetamide
CID 68872277
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide
CID 11725197
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide
CID 66815460

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-octyl-N-(quinolin-3-ylmethyl)butanamide?
The IUPAC name of 4-acetamido-N-octyl-N-(quinolin-3-ylmethyl)butanamide (CID 42797094) is 4-acetamido-N-octyl-N-(quinolin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-acetamido-N-octyl-N-(quinolin-3-ylmethyl)butanamide?
The canonical SMILES for 4-acetamido-N-octyl-N-(quinolin-3-ylmethyl)butanamide is CCCCCCCCN(Cc1cnc2ccccc2c1)C(=O)CCCNC(C)=O.
What is the InChIKey of 4-acetamido-N-octyl-N-(quinolin-3-ylmethyl)butanamide?
The InChIKey is PSZNQABPMRVXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-3-4-5-6-7-10-16-27(24(29)14-11-15-25-20(2)28)19-21-17-22-12-8-9-13-23(22)26-18-21/h8-9,12-13,17-18H,3-7,10-11,14-16,19H2,1-2H3,(H,25,28).
What are the key properties of 4-acetamido-N-octyl-N-(quinolin-3-ylmethyl)butanamide?
4-acetamido-N-octyl-N-(quinolin-3-ylmethyl)butanamide has a molecular weight of 397.56 g/mol, XLogP of 4.84, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-octyl-N-(quinolin-3-ylmethyl)butanamide is sourced from PubChem (CID 42797094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).