4-heptyl-N-(1-phenylethyl)benzamide

C22H29NO — CID 4027314

IUPAC4-heptyl-N-(1-phenylethyl)benzamide
SMILESCCCCCCCc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C22H29NO/c1-3-4-5-6-8-11-19-14-16-21(17-15-19)22(24)23-18(2)20-12-9-7-10-13-20/h7,9-10,12-18H,3-6,8,11H2,1-2H3,(H,23,24)
InChIKeyFUVRDHCYYNDSRT-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.69
Rot. Bonds9

About 4-heptyl-N-(1-phenylethyl)benzamide

4-heptyl-N-(1-phenylethyl)benzamide (PubChem CID 4027314) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-heptyl-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-heptyl-N-(1-phenylethyl)benzamide
PubChem CID4027314
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name4-heptyl-N-(1-phenylethyl)benzamide
SMILESCCCCCCCc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C22H29NO/c1-3-4-5-6-8-11-19-14-16-21(17-15-19)22(24)23-18(2)20-12-9-7-10-13-20/h7,9-10,12-18H,3-6,8,11H2,1-2H3,(H,23,24)
InChIKeyFUVRDHCYYNDSRT-UHFFFAOYSA-N
XLogP5.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047018
N-[(1S)-1-(4-dodecylphenyl)ethyl]-3,5-dinitrobenzamide
CID 101052220
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846255
N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 2290937
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
CID 112759831
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
[4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate
CID 23597756
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452902
N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 4837318
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452904

Frequently Asked Questions

What is the IUPAC name of 4-heptyl-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-heptyl-N-(1-phenylethyl)benzamide (CID 4027314) is 4-heptyl-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-heptyl-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-heptyl-N-(1-phenylethyl)benzamide is CCCCCCCc1ccc(C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 4-heptyl-N-(1-phenylethyl)benzamide?
The InChIKey is FUVRDHCYYNDSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-3-4-5-6-8-11-19-14-16-21(17-15-19)22(24)23-18(2)20-12-9-7-10-13-20/h7,9-10,12-18H,3-6,8,11H2,1-2H3,(H,23,24).
What are the key properties of 4-heptyl-N-(1-phenylethyl)benzamide?
4-heptyl-N-(1-phenylethyl)benzamide has a molecular weight of 323.48 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 4027314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).