N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide

C13H16N2O2 — CID 79287334

IUPACN-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccccc1C(C)O
InChIInChI=1S/C13H16N2O2/c1-3-8-14-9-13(17)15-12-7-5-4-6-11(12)10(2)16/h1,4-7,10,14,16H,8-9H2,2H3,(H,15,17)
InChIKeyBXAJZNXNDBLNAU-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.90
Rot. Bonds5

About N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide

N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 79287334) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide
PubChem CID79287334
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccccc1C(C)O
InChIInChI=1S/C13H16N2O2/c1-3-8-14-9-13(17)15-12-7-5-4-6-11(12)10(2)16/h1,4-7,10,14,16H,8-9H2,2H3,(H,15,17)
InChIKeyBXAJZNXNDBLNAU-UHFFFAOYSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 54963204
2-[2-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetic acid
CID 79271614
N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78912848
N-(2-phenylphenyl)-2-(prop-2-ynylamino)acetamide
CID 18190564
N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908653
N-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78912870
N-[2-(1-hydroxyethyl)phenyl]butanamide
CID 43508507
N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide
CID 79287541
N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 112722694
N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 54818713
N-(2-cyano-3-methylphenyl)-2-(prop-2-ynylamino)acetamide
CID 114003133
N-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide
CID 95776980

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide (CID 79287334) is N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1ccccc1C(C)O.
What is the InChIKey of N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is BXAJZNXNDBLNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-8-14-9-13(17)15-12-7-5-4-6-11(12)10(2)16/h1,4-7,10,14,16H,8-9H2,2H3,(H,15,17).
What are the key properties of N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide?
N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 232.28 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79287334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).