N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide

C17H22N4O2 — CID 71991149

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(C(=O)NCC(O)C2CCCC2)ccc1-n1cncn1
InChIInChI=1S/C17H22N4O2/c1-12-8-14(6-7-15(12)21-11-18-10-20-21)17(23)19-9-16(22)13-4-2-3-5-13/h6-8,10-11,13,16,22H,2-5,9H2,1H3,(H,19,23)
InChIKeyOYSYMUIDOLEGKP-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.86
Rot. Bonds5

About N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide

N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 71991149) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID71991149
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(C(=O)NCC(O)C2CCCC2)ccc1-n1cncn1
InChIInChI=1S/C17H22N4O2/c1-12-8-14(6-7-15(12)21-11-18-10-20-21)17(23)19-9-16(22)13-4-2-3-5-13/h6-8,10-11,13,16,22H,2-5,9H2,1H3,(H,19,23)
InChIKeyOYSYMUIDOLEGKP-UHFFFAOYSA-N
XLogP1.86
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 119592179
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
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 119459662
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide
CID 111425752
3-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]butanoic acid
CID 119221375
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide
CID 63294587
3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 120601161
3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 136566196
1-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 119176697
N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
CID 63298880
(2R)-4-methyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]pentanoic acid
CID 119364166

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide (CID 71991149) is N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide is Cc1cc(C(=O)NCC(O)C2CCCC2)ccc1-n1cncn1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is OYSYMUIDOLEGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-8-14(6-7-15(12)21-11-18-10-20-21)17(23)19-9-16(22)13-4-2-3-5-13/h6-8,10-11,13,16,22H,2-5,9H2,1H3,(H,19,23).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 314.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 71991149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).