2-amino-N-(1-phenylbut-2-enyl)acetamide

C12H16N2O — CID 142883546

IUPAC2-amino-N-(1-phenylbut-2-enyl)acetamide
SMILESCC=CC(NC(=O)CN)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-2-6-11(14-12(15)9-13)10-7-4-3-5-8-10/h2-8,11H,9,13H2,1H3,(H,14,15)
InChIKeyZRPJGAABXOTPNX-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.38
Rot. Bonds4

About 2-amino-N-(1-phenylbut-2-enyl)acetamide

2-amino-N-(1-phenylbut-2-enyl)acetamide (PubChem CID 142883546) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-amino-N-(1-phenylbut-2-enyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(1-phenylbut-2-enyl)acetamide
PubChem CID142883546
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-amino-N-(1-phenylbut-2-enyl)acetamide
SMILESCC=CC(NC(=O)CN)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-2-6-11(14-12(15)9-13)10-7-4-3-5-8-10/h2-8,11H,9,13H2,1H3,(H,14,15)
InChIKeyZRPJGAABXOTPNX-UHFFFAOYSA-N
XLogP1.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-phenylethyl)acetamide
CID 10631169
2-amino-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119273385
(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide
CID 70535754
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 119274327
4-[(2-aminoacetyl)amino]-4-phenylbutanoic acid
CID 61161871
[(2E,5E)-hepta-2,5-dien-4-yl]benzene
CID 102268055
(2S)-4-[(2-aminoacetyl)amino]-2-hydroxy-4-phenylbutanoic acid
CID 70497054
(E)-2-phenylpent-3-en-1-amine
CID 131236812
(E)-3-(1-phenylethylamino)hex-4-enoic acid
CID 70277932
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid;hydrobromide
CID 70545429
dimethyl 2-[(E,1R)-1-phenylbut-2-enyl]propanedioate
CID 13217835
2-amino-N-[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]acetamide
CID 141277075

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-phenylbut-2-enyl)acetamide?
The IUPAC name of 2-amino-N-(1-phenylbut-2-enyl)acetamide (CID 142883546) is 2-amino-N-(1-phenylbut-2-enyl)acetamide.
What is the SMILES notation for 2-amino-N-(1-phenylbut-2-enyl)acetamide?
The canonical SMILES for 2-amino-N-(1-phenylbut-2-enyl)acetamide is CC=CC(NC(=O)CN)c1ccccc1.
What is the InChIKey of 2-amino-N-(1-phenylbut-2-enyl)acetamide?
The InChIKey is ZRPJGAABXOTPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-6-11(14-12(15)9-13)10-7-4-3-5-8-10/h2-8,11H,9,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-(1-phenylbut-2-enyl)acetamide?
2-amino-N-(1-phenylbut-2-enyl)acetamide has a molecular weight of 204.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-phenylbut-2-enyl)acetamide is sourced from PubChem (CID 142883546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).