N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide

C18H25N5O — CID 119592179

IUPACN-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(C(=O)NC(CN)C2CCCCC2)ccc1-n1cncn1
InChIInChI=1S/C18H25N5O/c1-13-9-15(7-8-17(13)23-12-20-11-21-23)18(24)22-16(10-19)14-5-3-2-4-6-14/h7-9,11-12,14,16H,2-6,10,19H2,1H3,(H,22,24)
InChIKeyOQSHEIGSPFHALM-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.21
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide

N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 119592179) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID119592179
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(C(=O)NC(CN)C2CCCCC2)ccc1-n1cncn1
InChIInChI=1S/C18H25N5O/c1-13-9-15(7-8-17(13)23-12-20-11-21-23)18(24)22-16(10-19)14-5-3-2-4-6-14/h7-9,11-12,14,16H,2-6,10,19H2,1H3,(H,22,24)
InChIKeyOQSHEIGSPFHALM-UHFFFAOYSA-N
XLogP2.21
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 71991149
N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119589222
N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 166214673
(2R)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129467866
(2R)-4-methyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]pentanoic acid
CID 119364166
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide
CID 81485984
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 119459662
[4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 119521017
N-(2-amino-1-cyclohexylethyl)-5-methylpyridine-3-carboxamide
CID 81486901
N-(3-amino-1-cyclohexyl-3-oxopropyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 126778692
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide (CID 119592179) is N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide is Cc1cc(C(=O)NC(CN)C2CCCCC2)ccc1-n1cncn1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is OQSHEIGSPFHALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-9-15(7-8-17(13)23-12-20-11-21-23)18(24)22-16(10-19)14-5-3-2-4-6-14/h7-9,11-12,14,16H,2-6,10,19H2,1H3,(H,22,24).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 327.43 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 119592179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).