N-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide

C21H28N4O2 — CID 51124293

IUPACN-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
SMILESCCN(C(=O)c1cccc(NC(=O)CCn2ccnc2)c1)C1CCCCC1
InChIInChI=1S/C21H28N4O2/c1-2-25(19-9-4-3-5-10-19)21(27)17-7-6-8-18(15-17)23-20(26)11-13-24-14-12-22-16-24/h6-8,12,14-16,19H,2-5,9-11,13H2,1H3,(H,23,26)
InChIKeyLZXMYHYIIIHYPF-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.71
Rot. Bonds7

About N-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide

N-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide (PubChem CID 51124293) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
PubChem CID51124293
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
SMILESCCN(C(=O)c1cccc(NC(=O)CCn2ccnc2)c1)C1CCCCC1
InChIInChI=1S/C21H28N4O2/c1-2-25(19-9-4-3-5-10-19)21(27)17-7-6-8-18(15-17)23-20(26)11-13-24-14-12-22-16-24/h6-8,12,14-16,19H,2-5,9-11,13H2,1H3,(H,23,26)
InChIKeyLZXMYHYIIIHYPF-UHFFFAOYSA-N
XLogP3.71
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 47068944
N-[2-(ethylamino)ethyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide;dihydrochloride
CID 119505500
N-[2-(aminomethyl)cyclohexyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide;dihydrochloride
CID 119609806
N-benzyl-3-(3-imidazol-1-ylpropanoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95581974
N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124263
3-(3-imidazol-1-ylpropanoylamino)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55985388
3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide
CID 155945950
3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride
CID 119555811
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 55985510
methyl 2-[[4-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]benzoyl]amino]acetate
CID 55983857
methyl 2-chloro-5-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]benzoate
CID 55985393
4-acetyl-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]-1H-pyrrole-2-carboxamide
CID 47057941

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide (CID 51124293) is N-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide is CCN(C(=O)c1cccc(NC(=O)CCn2ccnc2)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide?
The InChIKey is LZXMYHYIIIHYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-2-25(19-9-4-3-5-10-19)21(27)17-7-6-8-18(15-17)23-20(26)11-13-24-14-12-22-16-24/h6-8,12,14-16,19H,2-5,9-11,13H2,1H3,(H,23,26).
What are the key properties of N-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide?
N-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide is sourced from PubChem (CID 51124293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).