N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide

C23H28N2O2 — CID 46456437

IUPACN-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide
SMILESCC(NC(=O)CC1CCCCC1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H28N2O2/c1-17(24-22(26)15-18-9-4-2-5-10-18)20-13-8-14-21(16-20)25-23(27)19-11-6-3-7-12-19/h3,6-8,11-14,16-18H,2,4-5,9-10,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyXVMUQEWPMWPYBO-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.09
Rot. Bonds6

About N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide

N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide (PubChem CID 46456437) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide
PubChem CID46456437
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide
SMILESCC(NC(=O)CC1CCCCC1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H28N2O2/c1-17(24-22(26)15-18-9-4-2-5-10-18)20-13-8-14-21(16-20)25-23(27)19-11-6-3-7-12-19/h3,6-8,11-14,16-18H,2,4-5,9-10,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyXVMUQEWPMWPYBO-UHFFFAOYSA-N
XLogP5.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(2-cyclopentylacetyl)amino]phenyl]benzamide
CID 54786112
N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87003800
N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide
CID 51725330
2-cyclobutyl-N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 103162221
3-[2-[(2-cyclohexylacetyl)amino]propanoylamino]benzoic acid
CID 119219531
N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide
CID 46464519
N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide
CID 87003801
(2S,4S)-N-[1-(3-benzamidophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620755
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide
CID 46456768
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 47035362
N-[3-[(1R)-1-[cyclopentylmethylcarbamoyl(methyl)amino]ethyl]phenyl]benzamide
CID 94122244
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide (CID 46456437) is N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide is CC(NC(=O)CC1CCCCC1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide?
The InChIKey is XVMUQEWPMWPYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17(24-22(26)15-18-9-4-2-5-10-18)20-13-8-14-21(16-20)25-23(27)19-11-6-3-7-12-19/h3,6-8,11-14,16-18H,2,4-5,9-10,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide?
N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 46456437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).