2-(ethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]acetamide

C13H16N2O2 — CID 173320623

IUPAC2-(ethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]acetamide
SMILESCCNCC(=O)Nc1ccccc1/C=C/C=O
InChIInChI=1S/C13H16N2O2/c1-2-14-10-13(17)15-12-8-4-3-6-11(12)7-5-9-16/h3-9,14H,2,10H2,1H3,(H,15,17)/b7-5+
InChIKeyGLHLUDLYGIPVPK-FNORWQNLSA-N
MW232.28 g/mol
LogP1.45
Rot. Bonds6

About 2-(ethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]acetamide

2-(ethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]acetamide (PubChem CID 173320623) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]acetamide
PubChem CID173320623
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(ethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]acetamide
SMILESCCNCC(=O)Nc1ccccc1/C=C/C=O
InChIInChI=1S/C13H16N2O2/c1-2-14-10-13(17)15-12-8-4-3-6-11(12)7-5-9-16/h3-9,14H,2,10H2,1H3,(H,15,17)/b7-5+
InChIKeyGLHLUDLYGIPVPK-FNORWQNLSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(3-oxoprop-1-enyl)phenyl]thiourea
CID 169459353
4-methyl-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]-1,3-oxazole-2-carboxamide
CID 173270000
(2-but-1-enylphenyl)carbamic acid
CID 163942827
methyl (E)-3-[2-(propanoylamino)phenyl]prop-2-enoate
CID 14143898
3-(2-hydrazinylphenyl)prop-2-enal
CID 169458787
ethyl N-[2-[(1Z)-buta-1,3-dienyl]phenyl]carbamate
CID 54598171
2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride
CID 54601113
2-(ethylamino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54820872
N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide
CID 60703571
2-[[2-(2-benzoylanilino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771914
N-[2-[(E)-hex-1-enyl]phenyl]butanamide
CID 173339802
2-chloro-N-(2-formylphenyl)acetamide
CID 12533349

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]acetamide?
The IUPAC name of 2-(ethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]acetamide (CID 173320623) is 2-(ethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]acetamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]acetamide?
The canonical SMILES for 2-(ethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]acetamide is CCNCC(=O)Nc1ccccc1/C=C/C=O.
What is the InChIKey of 2-(ethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]acetamide?
The InChIKey is GLHLUDLYGIPVPK-FNORWQNLSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-14-10-13(17)15-12-8-4-3-6-11(12)7-5-9-16/h3-9,14H,2,10H2,1H3,(H,15,17)/b7-5+.
What are the key properties of 2-(ethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]acetamide?
2-(ethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]acetamide has a molecular weight of 232.28 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]acetamide is sourced from PubChem (CID 173320623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).