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

C19H24N4O2 — CID 47068944

IUPACN-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
SMILESO=C(CCn1ccnc1)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H24N4O2/c24-18(9-11-23-12-10-20-14-23)21-17-8-4-5-15(13-17)19(25)22-16-6-2-1-3-7-16/h4-5,8,10,12-14,16H,1-3,6-7,9,11H2,(H,21,24)(H,22,25)
InChIKeyLFGSPAXOXYAOQY-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.97
Rot. Bonds6

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

N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide (PubChem CID 47068944) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
PubChem CID47068944
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
SMILESO=C(CCn1ccnc1)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H24N4O2/c24-18(9-11-23-12-10-20-14-23)21-17-8-4-5-15(13-17)19(25)22-16-6-2-1-3-7-16/h4-5,8,10,12-14,16H,1-3,6-7,9,11H2,(H,21,24)(H,22,25)
InChIKeyLFGSPAXOXYAOQY-UHFFFAOYSA-N
XLogP2.97
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide;dihydrochloride
CID 119609806
N-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124293
N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124263
N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
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
3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide
CID 17170672
N-[2-(ethylamino)ethyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide;dihydrochloride
CID 119505500
3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391382
methyl 2-chloro-5-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]benzoate
CID 55985393
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 55985510
3-(3-imidazol-1-ylpropanoylamino)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 55987614

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide?
The IUPAC name of N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide (CID 47068944) is N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide.
What is the SMILES notation for N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide?
The canonical SMILES for N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide is O=C(CCn1ccnc1)Nc1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide?
The InChIKey is LFGSPAXOXYAOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(9-11-23-12-10-20-14-23)21-17-8-4-5-15(13-17)19(25)22-16-6-2-1-3-7-16/h4-5,8,10,12-14,16H,1-3,6-7,9,11H2,(H,21,24)(H,22,25).
What are the key properties of N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide?
N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide is sourced from PubChem (CID 47068944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).