N-(2-hydroxy-2,3-dimethylpentyl)-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide

C18H26N4O2 — CID 111478041

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
SMILESCCC(C)C(C)(O)CNC(=O)CCc1nncn1-c1ccccc1
InChIInChI=1S/C18H26N4O2/c1-4-14(2)18(3,24)12-19-17(23)11-10-16-21-20-13-22(16)15-8-6-5-7-9-15/h5-9,13-14,24H,4,10-12H2,1-3H3,(H,19,23)
InChIKeyFBAHUBQXZRJRKS-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.11
Rot. Bonds8

About N-(2-hydroxy-2,3-dimethylpentyl)-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide

N-(2-hydroxy-2,3-dimethylpentyl)-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 111478041) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
PubChem CID111478041
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
SMILESCCC(C)C(C)(O)CNC(=O)CCc1nncn1-c1ccccc1
InChIInChI=1S/C18H26N4O2/c1-4-14(2)18(3,24)12-19-17(23)11-10-16-21-20-13-22(16)15-8-6-5-7-9-15/h5-9,13-14,24H,4,10-12H2,1-3H3,(H,19,23)
InChIKeyFBAHUBQXZRJRKS-UHFFFAOYSA-N
XLogP2.11
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
CID 111471250
2-methoxy-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 53497973
1-[(2S)-2-(diethylamino)propyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
CID 94201454
3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide
CID 111446592
2,3-dimethyl-2-[(4-phenyl-1,2,4-triazol-3-yl)methyl]butanoic acid
CID 62711628
5-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 111446420
5-(4-phenyl-1,2,4-triazol-3-yl)pentanoic acid
CID 62711798
3-(2-methylbutyl)-4-phenyl-1,2,4-triazole
CID 114877681
2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 119728210
2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide
CID 119291926
tert-butyl 2-methyl-4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]butanoate
CID 154755120
1-(1-hydroxypentan-3-yl)-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
CID 111454543

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide (CID 111478041) is N-(2-hydroxy-2,3-dimethylpentyl)-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide is CCC(C)C(C)(O)CNC(=O)CCc1nncn1-c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is FBAHUBQXZRJRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-14(2)18(3,24)12-19-17(23)11-10-16-21-20-13-22(16)15-8-6-5-7-9-15/h5-9,13-14,24H,4,10-12H2,1-3H3,(H,19,23).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
N-(2-hydroxy-2,3-dimethylpentyl)-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 330.43 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 111478041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).