4-benzyl-N-cyclohexylnonanamide

C22H35NO — CID 176730329

IUPAC4-benzyl-N-cyclohexylnonanamide
SMILESCCCCCC(CCC(=O)NC1CCCCC1)Cc1ccccc1
InChIInChI=1S/C22H35NO/c1-2-3-6-11-20(18-19-12-7-4-8-13-19)16-17-22(24)23-21-14-9-5-10-15-21/h4,7-8,12-13,20-21H,2-3,5-6,9-11,14-18H2,1H3,(H,23,24)
InChIKeyIEQBDEGIQOCPDY-UHFFFAOYSA-N
MW329.53 g/mol
LogP5.65
Rot. Bonds10

About 4-benzyl-N-cyclohexylnonanamide

4-benzyl-N-cyclohexylnonanamide (PubChem CID 176730329) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is 4-benzyl-N-cyclohexylnonanamide.

Molecular Properties

Compound Name4-benzyl-N-cyclohexylnonanamide
PubChem CID176730329
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name4-benzyl-N-cyclohexylnonanamide
SMILESCCCCCC(CCC(=O)NC1CCCCC1)Cc1ccccc1
InChIInChI=1S/C22H35NO/c1-2-3-6-11-20(18-19-12-7-4-8-13-19)16-17-22(24)23-21-14-9-5-10-15-21/h4,7-8,12-13,20-21H,2-3,5-6,9-11,14-18H2,1H3,(H,23,24)
InChIKeyIEQBDEGIQOCPDY-UHFFFAOYSA-N
XLogP5.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.65
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-benzyldodecanoic acid;N-methylmethanamine
CID 138628491
(2S)-2-benzyl-4-(cyclohexylamino)-4-oxobutanoic acid
CID 829380
N-(2-benzylheptyl)-4-methylpentanamide
CID 176730327
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-cyclododecyl-N'-(1-phenylethyl)butanediamide
CID 4025526
2-benzyltetradecylbenzene
CID 22920205
N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide
CID 60552327
3-benzylpentadecan-1-ol
CID 174933241
3-benzylheptadecan-1-ol
CID 70425860
5-(2-methyl-3-phenylpropyl)octadecanoic acid
CID 70489744

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-cyclohexylnonanamide?
The IUPAC name of 4-benzyl-N-cyclohexylnonanamide (CID 176730329) is 4-benzyl-N-cyclohexylnonanamide.
What is the SMILES notation for 4-benzyl-N-cyclohexylnonanamide?
The canonical SMILES for 4-benzyl-N-cyclohexylnonanamide is CCCCCC(CCC(=O)NC1CCCCC1)Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-cyclohexylnonanamide?
The InChIKey is IEQBDEGIQOCPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO/c1-2-3-6-11-20(18-19-12-7-4-8-13-19)16-17-22(24)23-21-14-9-5-10-15-21/h4,7-8,12-13,20-21H,2-3,5-6,9-11,14-18H2,1H3,(H,23,24).
What are the key properties of 4-benzyl-N-cyclohexylnonanamide?
4-benzyl-N-cyclohexylnonanamide has a molecular weight of 329.53 g/mol, XLogP of 5.65, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-cyclohexylnonanamide is sourced from PubChem (CID 176730329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).