N-[(4-cyclopentyloxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide

C17H22N4O2 — CID 51104170

IUPACN-[(4-cyclopentyloxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCc1ccc(OC2CCCC2)cc1)n1cncn1
InChIInChI=1S/C17H22N4O2/c1-13(21-12-18-11-20-21)17(22)19-10-14-6-8-16(9-7-14)23-15-4-2-3-5-15/h6-9,11-13,15H,2-5,10H2,1H3,(H,19,22)
InChIKeyNZGIRLXXUGRBAY-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.48
Rot. Bonds6

About N-[(4-cyclopentyloxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[(4-cyclopentyloxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 51104170) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(4-cyclopentyloxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-cyclopentyloxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID51104170
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[(4-cyclopentyloxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCc1ccc(OC2CCCC2)cc1)n1cncn1
InChIInChI=1S/C17H22N4O2/c1-13(21-12-18-11-20-21)17(22)19-10-14-6-8-16(9-7-14)23-15-4-2-3-5-15/h6-9,11-13,15H,2-5,10H2,1H3,(H,19,22)
InChIKeyNZGIRLXXUGRBAY-UHFFFAOYSA-N
XLogP2.48
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(4-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950547
N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 61400915
1-acetyl-N-[(4-cyclopentyloxyphenyl)methyl]piperidine-4-carboxamide
CID 110793800
(2S)-N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950233
2-amino-N-[(4-cyclopentyloxyphenyl)methyl]acetamide
CID 96676286
1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol
CID 112513393
(2R)-2-(1,2,4-triazol-1-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide
CID 94029323
N-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443943
(2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide
CID 119312794
(2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94635448
(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950969
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71936006

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentyloxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(4-cyclopentyloxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 51104170) is N-[(4-cyclopentyloxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(4-cyclopentyloxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(4-cyclopentyloxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)NCc1ccc(OC2CCCC2)cc1)n1cncn1.
What is the InChIKey of N-[(4-cyclopentyloxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is NZGIRLXXUGRBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13(21-12-18-11-20-21)17(22)19-10-14-6-8-16(9-7-14)23-15-4-2-3-5-15/h6-9,11-13,15H,2-5,10H2,1H3,(H,19,22).
What are the key properties of N-[(4-cyclopentyloxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[(4-cyclopentyloxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentyloxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 51104170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).