2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide

C14H18N2O3 — CID 84571235

IUPAC2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide
SMILESC=CCN(CC(=O)Nc1ccccc1OC)C(C)=O
InChIInChI=1S/C14H18N2O3/c1-4-9-16(11(2)17)10-14(18)15-12-7-5-6-8-13(12)19-3/h4-8H,1,9-10H2,2-3H3,(H,15,18)
InChIKeyCSEBXVPXDQGKJR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.67
Rot. Bonds6

About 2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide

2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide (PubChem CID 84571235) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide
PubChem CID84571235
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide
SMILESC=CCN(CC(=O)Nc1ccccc1OC)C(C)=O
InChIInChI=1S/C14H18N2O3/c1-4-9-16(11(2)17)10-14(18)15-12-7-5-6-8-13(12)19-3/h4-8H,1,9-10H2,2-3H3,(H,15,18)
InChIKeyCSEBXVPXDQGKJR-UHFFFAOYSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2-methoxyanilino)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326650
2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 84566729
ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate
CID 84570057
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 113163139
2-[(2-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813785
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113162972
3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115644
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 113164550
2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide
CID 27239631
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-chlorophenyl)acetamide
CID 113162954
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113164592
3-(2-methoxyphenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-prop-2-enylurea
CID 42760139

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide (CID 84571235) is 2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide is C=CCN(CC(=O)Nc1ccccc1OC)C(C)=O.
What is the InChIKey of 2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is CSEBXVPXDQGKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-9-16(11(2)17)10-14(18)15-12-7-5-6-8-13(12)19-3/h4-8H,1,9-10H2,2-3H3,(H,15,18).
What are the key properties of 2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide?
2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 84571235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).