7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide

C23H29NO3 — CID 99792882

IUPAC7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide
SMILESCOc1ccc(C(=O)CCCCCC(=O)N(C)[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C23H29NO3/c1-18(19-10-6-4-7-11-19)24(2)23(26)13-9-5-8-12-22(25)20-14-16-21(27-3)17-15-20/h4,6-7,10-11,14-18H,5,8-9,12-13H2,1-3H3/t18-/m0/s1
InChIKeyATAUMJWQXFFTFP-SFHVURJKSA-N
MW367.49 g/mol
LogP5.05
Rot. Bonds10

About 7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide

7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide (PubChem CID 99792882) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide
PubChem CID99792882
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide
SMILESCOc1ccc(C(=O)CCCCCC(=O)N(C)[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C23H29NO3/c1-18(19-10-6-4-7-11-19)24(2)23(26)13-9-5-8-12-22(25)20-14-16-21(27-3)17-15-20/h4,6-7,10-11,14-18H,5,8-9,12-13H2,1-3H3/t18-/m0/s1
InChIKeyATAUMJWQXFFTFP-SFHVURJKSA-N
XLogP5.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide
CID 75869937
5-(4-methoxyphenyl)-N-methyl-5-oxo-N-phenylpentanamide
CID 110298230
1-(4-methoxyphenyl)-8-methylnonane-1,7-dione
CID 70230200
3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]-methylamino]-2-methylpropanoic acid
CID 120687229
N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide
CID 56536444
N-ethyl-5-(4-methoxyphenyl)-5-oxo-N-phenylpentanamide
CID 110298239
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide
CID 110308829
N-[3-[1-[4-(4-methoxyphenoxy)butanoyl-methylamino]ethyl]phenyl]benzamide
CID 46533483
4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide
CID 162689980

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide?
The IUPAC name of 7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide (CID 99792882) is 7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide.
What is the SMILES notation for 7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide?
The canonical SMILES for 7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide is COc1ccc(C(=O)CCCCCC(=O)N(C)[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide?
The InChIKey is ATAUMJWQXFFTFP-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29NO3/c1-18(19-10-6-4-7-11-19)24(2)23(26)13-9-5-8-12-22(25)20-14-16-21(27-3)17-15-20/h4,6-7,10-11,14-18H,5,8-9,12-13H2,1-3H3/t18-/m0/s1.
What are the key properties of 7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide?
7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide has a molecular weight of 367.49 g/mol, XLogP of 5.05, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide is sourced from PubChem (CID 99792882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).