3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide

C19H26N6O2 — CID 118768495

IUPAC3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)NC(C)c2nncn2C2CCCC2)c1
InChIInChI=1S/C19H26N6O2/c1-12-8-9-14(18(26)20-3)10-16(12)23-19(27)22-13(2)17-24-21-11-25(17)15-6-4-5-7-15/h8-11,13,15H,4-7H2,1-3H3,(H,20,26)(H2,22,23,27)
InChIKeyWJFFHHOGSJXCMW-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.94
Rot. Bonds5

About 3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide

3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide (PubChem CID 118768495) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide
PubChem CID118768495
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)NC(C)c2nncn2C2CCCC2)c1
InChIInChI=1S/C19H26N6O2/c1-12-8-9-14(18(26)20-3)10-16(12)23-19(27)22-13(2)17-24-21-11-25(17)15-6-4-5-7-15/h8-11,13,15H,4-7H2,1-3H3,(H,20,26)(H2,22,23,27)
InChIKeyWJFFHHOGSJXCMW-UHFFFAOYSA-N
XLogP2.94
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]-N,4-dimethylbenzamide
CID 125158221
1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea
CID 125166001
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide
CID 68512967
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 125166249
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide
CID 124758168
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide
CID 125162457
1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea
CID 126428144
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide
CID 124843003
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126426674
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126426673
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-5-ethylthiophene-3-carboxamide
CID 125174195
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 118786649

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide (CID 118768495) is 3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(NC(=O)NC(C)c2nncn2C2CCCC2)c1.
What is the InChIKey of 3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide?
The InChIKey is WJFFHHOGSJXCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-12-8-9-14(18(26)20-3)10-16(12)23-19(27)22-13(2)17-24-21-11-25(17)15-6-4-5-7-15/h8-11,13,15H,4-7H2,1-3H3,(H,20,26)(H2,22,23,27).
What are the key properties of 3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide?
3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide has a molecular weight of 370.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide is sourced from PubChem (CID 118768495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).