2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

C15H21N5O — CID 62832697

IUPAC2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C15H21N5O/c1-4-17-15(2,3)14(21)19-13-7-5-12(6-8-13)9-20-11-16-10-18-20/h5-8,10-11,17H,4,9H2,1-3H3,(H,19,21)
InChIKeyNQMQDTBTONIWBQ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.65
Rot. Bonds6

About 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (PubChem CID 62832697) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
PubChem CID62832697
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C15H21N5O/c1-4-17-15(2,3)14(21)19-13-7-5-12(6-8-13)9-20-11-16-10-18-20/h5-8,10-11,17H,4,9H2,1-3H3,(H,19,21)
InChIKeyNQMQDTBTONIWBQ-UHFFFAOYSA-N
XLogP1.65
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2,2-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 63679034
2-amino-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
CID 60847179
2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 62834156
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
N-tert-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 143722818
3-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62851988
3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)anilino]propanoic acid
CID 62229939
2-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119843461
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
3-tert-butyl-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrazole-5-carboxamide
CID 78898253
2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 62836603
2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 61034736

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (CID 62832697) is 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is CCNC(C)(C)C(=O)Nc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is NQMQDTBTONIWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-17-15(2,3)14(21)19-13-7-5-12(6-8-13)9-20-11-16-10-18-20/h5-8,10-11,17H,4,9H2,1-3H3,(H,19,21).
What are the key properties of 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 287.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 62832697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).