N-ethyl-N-(3-hydroxyphenyl)-3-(triazol-1-yl)propanamide

C13H16N4O2 — CID 107736272

IUPACN-ethyl-N-(3-hydroxyphenyl)-3-(triazol-1-yl)propanamide
SMILESCCN(C(=O)CCn1ccnn1)c1cccc(O)c1
InChIInChI=1S/C13H16N4O2/c1-2-17(11-4-3-5-12(18)10-11)13(19)6-8-16-9-7-14-15-16/h3-5,7,9-10,18H,2,6,8H2,1H3
InChIKeyLQSZPEKTJDAOJN-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.43
Rot. Bonds5

About N-ethyl-N-(3-hydroxyphenyl)-3-(triazol-1-yl)propanamide

N-ethyl-N-(3-hydroxyphenyl)-3-(triazol-1-yl)propanamide (PubChem CID 107736272) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxyphenyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxyphenyl)-3-(triazol-1-yl)propanamide
PubChem CID107736272
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-ethyl-N-(3-hydroxyphenyl)-3-(triazol-1-yl)propanamide
SMILESCCN(C(=O)CCn1ccnn1)c1cccc(O)c1
InChIInChI=1S/C13H16N4O2/c1-2-17(11-4-3-5-12(18)10-11)13(19)6-8-16-9-7-14-15-16/h3-5,7,9-10,18H,2,6,8H2,1H3
InChIKeyLQSZPEKTJDAOJN-UHFFFAOYSA-N
XLogP1.43
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(3-hydroxyphenyl)heptanamide
CID 107736474
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
N-ethyl-2-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)acetamide
CID 107735690
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
N-ethyl-N-(3-hydroxyphenyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107736204
N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide
CID 107736354
4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide
CID 107734933
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
N-ethyl-3-hydroxy-N-(3-hydroxyphenyl)pyridine-2-carboxamide
CID 107735687
4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide
CID 107733315

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-3-(triazol-1-yl)propanamide (CID 107736272) is N-ethyl-N-(3-hydroxyphenyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxyphenyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-ethyl-N-(3-hydroxyphenyl)-3-(triazol-1-yl)propanamide is CCN(C(=O)CCn1ccnn1)c1cccc(O)c1.
What is the InChIKey of N-ethyl-N-(3-hydroxyphenyl)-3-(triazol-1-yl)propanamide?
The InChIKey is LQSZPEKTJDAOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-17(11-4-3-5-12(18)10-11)13(19)6-8-16-9-7-14-15-16/h3-5,7,9-10,18H,2,6,8H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxyphenyl)-3-(triazol-1-yl)propanamide?
N-ethyl-N-(3-hydroxyphenyl)-3-(triazol-1-yl)propanamide has a molecular weight of 260.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxyphenyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 107736272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).