N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide

C12H16N2O — CID 76948085

IUPACN-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
SMILESCNCCNC(=O)C=Cc1ccccc1
InChIInChI=1S/C12H16N2O/c1-13-9-10-14-12(15)8-7-11-5-3-2-4-6-11/h2-8,13H,9-10H2,1H3,(H,14,15)
InChIKeyBNQHZOAPDFDBOM-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.04
Rot. Bonds5

About N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide

N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide (PubChem CID 76948085) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
PubChem CID76948085
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
SMILESCNCCNC(=O)C=Cc1ccccc1
InChIInChI=1S/C12H16N2O/c1-13-9-10-14-12(15)8-7-11-5-3-2-4-6-11/h2-8,13H,9-10H2,1H3,(H,14,15)
InChIKeyBNQHZOAPDFDBOM-UHFFFAOYSA-N
XLogP1.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide 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

(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 32968682
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 98926306
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide
CID 108573771
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
(2S)-2-hydroxy-4-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 107833894
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
4,4-dimethyl-6-(3-phenylprop-2-enoylamino)hexanoic acid
CID 77064543
(E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide
CID 60569011
N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide
CID 76676980

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide (CID 76948085) is N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide is CNCCNC(=O)C=Cc1ccccc1.
What is the InChIKey of N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide?
The InChIKey is BNQHZOAPDFDBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-13-9-10-14-12(15)8-7-11-5-3-2-4-6-11/h2-8,13H,9-10H2,1H3,(H,14,15).
What are the key properties of N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide?
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide has a molecular weight of 204.27 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 76948085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).