(E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide

C12H14N2O2 — CID 70155111

IUPAC(E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide
SMILESCCN(C(N)=O)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H14N2O2/c1-2-14(12(13)16)11(15)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,13,16)/b9-8+
InChIKeyYWILUCJTMLBIKV-CMDGGOBGSA-N
MW218.26 g/mol
LogP1.63
Rot. Bonds3

About (E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide

(E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide (PubChem CID 70155111) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide
PubChem CID70155111
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide
SMILESCCN(C(N)=O)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H14N2O2/c1-2-14(12(13)16)11(15)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,13,16)/b9-8+
InChIKeyYWILUCJTMLBIKV-CMDGGOBGSA-N
XLogP1.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-carbamoyl-N-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

N-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide
CID 70157803
N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54222824
(E)-N-acetyl-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273810
(E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide
CID 141367752
2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid
CID 76949889
(E)-N-(dimethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273669
(E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273813
N-[ethoxy(ethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54377008
N,N-dihydroxy-3-phenylprop-2-enamide
CID 141104282
(E)-N-[ethyl(ethylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273719
(E)-N-(ethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273799
tert-butyl N-benzyl-N-(3-phenylprop-2-enoyl)carbamate
CID 170993459

Frequently Asked Questions

What is the IUPAC name of (E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide (CID 70155111) is (E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide is CCN(C(N)=O)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide?
The InChIKey is YWILUCJTMLBIKV-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-14(12(13)16)11(15)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,13,16)/b9-8+.
What are the key properties of (E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide?
(E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide has a molecular weight of 218.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide is sourced from PubChem (CID 70155111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).