N-cyclohexyl-2-(dodecanoylamino)benzamide

C25H40N2O2 — CID 25137451

IUPACN-cyclohexyl-2-(dodecanoylamino)benzamide
SMILESCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C25H40N2O2/c1-2-3-4-5-6-7-8-9-13-20-24(28)27-23-19-15-14-18-22(23)25(29)26-21-16-11-10-12-17-21/h14-15,18-19,21H,2-13,16-17,20H2,1H3,(H,26,29)(H,27,28)
InChIKeyUEVQSAKMBFLCBK-UHFFFAOYSA-N
MW400.61 g/mol
LogP6.61
Rot. Bonds13

About N-cyclohexyl-2-(dodecanoylamino)benzamide

N-cyclohexyl-2-(dodecanoylamino)benzamide (PubChem CID 25137451) has the molecular formula C25H40N2O2 and a molecular weight of 400.61 g/mol. Its IUPAC name is N-cyclohexyl-2-(dodecanoylamino)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(dodecanoylamino)benzamide
PubChem CID25137451
Molecular FormulaC25H40N2O2
Molecular Weight400.61 g/mol
Exact Mass400.31
IUPAC NameN-cyclohexyl-2-(dodecanoylamino)benzamide
SMILESCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C25H40N2O2/c1-2-3-4-5-6-7-8-9-13-20-24(28)27-23-19-15-14-18-22(23)25(29)26-21-16-11-10-12-17-21/h14-15,18-19,21H,2-13,16-17,20H2,1H3,(H,26,29)(H,27,28)
InChIKeyUEVQSAKMBFLCBK-UHFFFAOYSA-N
XLogP6.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.61
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid
CID 4949663
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933656
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
CID 17188521
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
2-(hexacosanoylamino)benzoic acid
CID 123304158
2-[(2-cyclohexylacetyl)amino]-N-cyclopropylbenzamide
CID 34280929
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 8583632

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(dodecanoylamino)benzamide?
The IUPAC name of N-cyclohexyl-2-(dodecanoylamino)benzamide (CID 25137451) is N-cyclohexyl-2-(dodecanoylamino)benzamide.
What is the SMILES notation for N-cyclohexyl-2-(dodecanoylamino)benzamide?
The canonical SMILES for N-cyclohexyl-2-(dodecanoylamino)benzamide is CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(dodecanoylamino)benzamide?
The InChIKey is UEVQSAKMBFLCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O2/c1-2-3-4-5-6-7-8-9-13-20-24(28)27-23-19-15-14-18-22(23)25(29)26-21-16-11-10-12-17-21/h14-15,18-19,21H,2-13,16-17,20H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-cyclohexyl-2-(dodecanoylamino)benzamide?
N-cyclohexyl-2-(dodecanoylamino)benzamide has a molecular weight of 400.61 g/mol, XLogP of 6.61, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(dodecanoylamino)benzamide is sourced from PubChem (CID 25137451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).