2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide

C12H14N2O2 — CID 67925876

IUPAC2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide
SMILESCOc1ccccc1CC#CNCC(N)=O
InChIInChI=1S/C12H14N2O2/c1-16-11-7-3-2-5-10(11)6-4-8-14-9-12(13)15/h2-3,5,7,14H,6,9H2,1H3,(H2,13,15)
InChIKeyZKNRGEFCEKKMGX-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.27
Rot. Bonds4

About 2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide

2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide (PubChem CID 67925876) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide
PubChem CID67925876
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide
SMILESCOc1ccccc1CC#CNCC(N)=O
InChIInChI=1S/C12H14N2O2/c1-16-11-7-3-2-5-10(11)6-4-8-14-9-12(13)15/h2-3,5,7,14H,6,9H2,1H3,(H2,13,15)
InChIKeyZKNRGEFCEKKMGX-UHFFFAOYSA-N
XLogP0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(2-methoxyphenyl)prop-1-ynylamino]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

4-(2-methoxyphenyl)but-2-ynoic acid
CID 64535193
4-[(2-methoxyphenyl)methylamino]butanamide
CID 60863188
2-[2-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 43738441
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 175807112
3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane
CID 101398032
1-hexa-2,4-diynyl-2-methoxybenzene
CID 5319414
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 43316152
4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide
CID 65236981
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide?
The IUPAC name of 2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide (CID 67925876) is 2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide?
The canonical SMILES for 2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide is COc1ccccc1CC#CNCC(N)=O.
What is the InChIKey of 2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide?
The InChIKey is ZKNRGEFCEKKMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-16-11-7-3-2-5-10(11)6-4-8-14-9-12(13)15/h2-3,5,7,14H,6,9H2,1H3,(H2,13,15).
What are the key properties of 2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide?
2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide has a molecular weight of 218.26 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide is sourced from PubChem (CID 67925876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).