3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide

C14H19N5O — CID 62853616

IUPAC3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide
SMILESCCNCC(C)C(=O)Nc1ccc(-n2nccn2)cc1
InChIInChI=1S/C14H19N5O/c1-3-15-10-11(2)14(20)18-12-4-6-13(7-5-12)19-16-8-9-17-19/h4-9,11,15H,3,10H2,1-2H3,(H,18,20)
InChIKeyONHCFOCEZZYHRY-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.45
Rot. Bonds6

About 3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide

3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide (PubChem CID 62853616) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide
PubChem CID62853616
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide
SMILESCCNCC(C)C(=O)Nc1ccc(-n2nccn2)cc1
InChIInChI=1S/C14H19N5O/c1-3-15-10-11(2)14(20)18-12-4-6-13(7-5-12)19-16-8-9-17-19/h4-9,11,15H,3,10H2,1-2H3,(H,18,20)
InChIKeyONHCFOCEZZYHRY-UHFFFAOYSA-N
XLogP1.45
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[4-(triazol-2-yl)phenyl]butanamide
CID 79025065
(2S)-2-amino-3-methyl-N-[4-(triazol-2-yl)phenyl]butanamide
CID 61154782
3-(ethylamino)-N-[4-(triazol-2-yl)phenyl]propanamide
CID 62832692
(2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide
CID 103795568
3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 62853946
3-(ethylamino)-N-[4-(2-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62838562
3-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62851988
N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 106911857
N-(3,4-dimethylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852690
N-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62851819
3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62726808
2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride
CID 119702362

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide (CID 62853616) is 3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide is CCNCC(C)C(=O)Nc1ccc(-n2nccn2)cc1.
What is the InChIKey of 3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide?
The InChIKey is ONHCFOCEZZYHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-15-10-11(2)14(20)18-12-4-6-13(7-5-12)19-16-8-9-17-19/h4-9,11,15H,3,10H2,1-2H3,(H,18,20).
What are the key properties of 3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide?
3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 62853616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).