N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide

C31H36N2O2 — CID 140923009

IUPACN-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide
SMILESCCCCNC(=O)C(C1CCCCC1)N(C(=O)c1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C31H36N2O2/c1-2-3-23-32-30(34)29(25-17-9-5-10-18-25)33(26-19-11-6-12-20-26)31(35)28-22-14-13-21-27(28)24-15-7-4-8-16-24/h4,6-8,11-16,19-22,25,29H,2-3,5,9-10,17-18,23H2,1H3,(H,32,34)
InChIKeyDWIPQLPYMWAPRV-UHFFFAOYSA-N
MW468.64 g/mol
LogP6.87
Rot. Bonds9

About N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide

N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide (PubChem CID 140923009) has the molecular formula C31H36N2O2 and a molecular weight of 468.64 g/mol. Its IUPAC name is N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide.

Molecular Properties

Compound NameN-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide
PubChem CID140923009
Molecular FormulaC31H36N2O2
Molecular Weight468.64 g/mol
Exact Mass468.28
IUPAC NameN-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide
SMILESCCCCNC(=O)C(C1CCCCC1)N(C(=O)c1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C31H36N2O2/c1-2-3-23-32-30(34)29(25-17-9-5-10-18-25)33(26-19-11-6-12-20-26)31(35)28-22-14-13-21-27(28)24-15-7-4-8-16-24/h4,6-8,11-16,19-22,25,29H,2-3,5,9-10,17-18,23H2,1H3,(H,32,34)
InChIKeyDWIPQLPYMWAPRV-UHFFFAOYSA-N
XLogP6.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide
CID 145207815
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane
CID 145207801
N-(3-bromo-4-methylphenyl)-N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-phenylbenzamide;2-cyclohexyl-2-(N-(2-iodobenzoyl)anilino)acetic acid;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodo-N-phenylbenzamide
CID 161301511
N-butyl-2-phenylbenzamide
CID 21064565
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide
CID 155088072
N-butyl-2-hydroxy-3-phenylbenzamide
CID 8579
N-butyl-2-cyclopentylpropanamide
CID 173178636
N-[(1S)-2-(butylamino)-1-cyclohexyl-2-oxoethyl]-3-(2,6-dimethoxyphenyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide
CID 118561203
N-[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-N-phenylfuran-2-carboxamide
CID 138983886
N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine
CID 125466458
N-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide
CID 22941487
N-benzyl-2-[butyl-(pyrazine-2-carbonylamino)amino]-2-cyclohexylacetamide
CID 53041392

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide?
The IUPAC name of N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide (CID 140923009) is N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide.
What is the SMILES notation for N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide?
The canonical SMILES for N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide is CCCCNC(=O)C(C1CCCCC1)N(C(=O)c1ccccc1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide?
The InChIKey is DWIPQLPYMWAPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O2/c1-2-3-23-32-30(34)29(25-17-9-5-10-18-25)33(26-19-11-6-12-20-26)31(35)28-22-14-13-21-27(28)24-15-7-4-8-16-24/h4,6-8,11-16,19-22,25,29H,2-3,5,9-10,17-18,23H2,1H3,(H,32,34).
What are the key properties of N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide?
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide has a molecular weight of 468.64 g/mol, XLogP of 6.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide is sourced from PubChem (CID 140923009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).