N-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide

C17H22N4O — CID 75504688

IUPACN-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NC1(Cc2ccccc2)CCCC1)n1cncn1
InChIInChI=1S/C17H22N4O/c1-14(21-13-18-12-19-21)16(22)20-17(9-5-6-10-17)11-15-7-3-2-4-8-15/h2-4,7-8,12-14H,5-6,9-11H2,1H3,(H,20,22)
InChIKeyIULAMEIEYHLAGM-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.51
Rot. Bonds5

About N-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide

N-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 75504688) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID75504688
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NC1(Cc2ccccc2)CCCC1)n1cncn1
InChIInChI=1S/C17H22N4O/c1-14(21-13-18-12-19-21)16(22)20-17(9-5-6-10-17)11-15-7-3-2-4-8-15/h2-4,7-8,12-14H,5-6,9-11H2,1H3,(H,20,22)
InChIKeyIULAMEIEYHLAGM-UHFFFAOYSA-N
XLogP2.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 113435046
(2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 95308719
(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950969
3-[2-[2-(1,2,4-triazol-1-yl)propanoylamino]ethyl]benzoic acid
CID 63793859
1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 75521844
(1-benzylcyclopentyl)urea
CID 86790395
2-[3-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]acetic acid
CID 65345877
(2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94635448
(2S)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 99972085
N-(1-benzylcyclohexyl)-2-phenylacetamide
CID 84509764
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729141

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 75504688) is N-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)NC1(Cc2ccccc2)CCCC1)n1cncn1.
What is the InChIKey of N-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is IULAMEIEYHLAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14(21-13-18-12-19-21)16(22)20-17(9-5-6-10-17)11-15-7-3-2-4-8-15/h2-4,7-8,12-14H,5-6,9-11H2,1H3,(H,20,22).
What are the key properties of N-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 75504688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).