N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide

C13H17NO3 — CID 63294554

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)NCC(O)C1CC1
InChIInChI=1S/C13H17NO3/c15-11-5-1-9(2-6-11)7-13(17)14-8-12(16)10-3-4-10/h1-2,5-6,10,12,15-16H,3-4,7-8H2,(H,14,17)
InChIKeySHZIORKESFXOAS-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.82
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide

N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide (PubChem CID 63294554) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide
PubChem CID63294554
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)NCC(O)C1CC1
InChIInChI=1S/C13H17NO3/c15-11-5-1-9(2-6-11)7-13(17)14-8-12(16)10-3-4-10/h1-2,5-6,10,12,15-16H,3-4,7-8H2,(H,14,17)
InChIKeySHZIORKESFXOAS-UHFFFAOYSA-N
XLogP0.82
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426322
(2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid
CID 107833634
N-(2-cyclopentyl-2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
CID 111425991
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
CID 63294170
N-(2,2-diphenylethyl)-2-(4-hydroxyphenyl)acetamide
CID 78806805
2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid
CID 103251531
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 99850234
2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)acetamide
CID 113474877
N-(2-cyclopentyl-2-hydroxyethyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 111426293
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide
CID 63294026
N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide
CID 63851883

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide (CID 63294554) is N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)cc1)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide?
The InChIKey is SHZIORKESFXOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-11-5-1-9(2-6-11)7-13(17)14-8-12(16)10-3-4-10/h1-2,5-6,10,12,15-16H,3-4,7-8H2,(H,14,17).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide has a molecular weight of 235.28 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 63294554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).