(E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide

C13H18N2O2 — CID 112746849

IUPAC(E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide
SMILESCOCCc1ccccc1NC(=O)/C=C/CN
InChIInChI=1S/C13H18N2O2/c1-17-10-8-11-5-2-3-6-12(11)15-13(16)7-4-9-14/h2-7H,8-10,14H2,1H3,(H,15,16)/b7-4+
InChIKeyMUBONCYUHDGEAB-QPJJXVBHSA-N
MW234.30 g/mol
LogP1.33
Rot. Bonds6

About (E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide

(E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide (PubChem CID 112746849) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide
PubChem CID112746849
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide
SMILESCOCCc1ccccc1NC(=O)/C=C/CN
InChIInChI=1S/C13H18N2O2/c1-17-10-8-11-5-2-3-6-12(11)15-13(16)7-4-9-14/h2-7H,8-10,14H2,1H3,(H,15,16)/b7-4+
InChIKeyMUBONCYUHDGEAB-QPJJXVBHSA-N
XLogP1.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-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

(E)-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]-4-oxobut-2-enoic acid
CID 102906598
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide
CID 102903270
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
CID 102847778
(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
CID 102905806
ethyl 2-[[2-(2-methoxyethyl)phenyl]carbamoylamino]acetate
CID 102907562
3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid
CID 102907015
3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide
CID 102905725
(E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid
CID 103268817
5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 102907527
2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102906466
(E)-4-[2-(methoxymethyl)anilino]-4-oxobut-2-enoic acid
CID 54868087

Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide?
The IUPAC name of (E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide (CID 112746849) is (E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide.
What is the SMILES notation for (E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide?
The canonical SMILES for (E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide is COCCc1ccccc1NC(=O)/C=C/CN.
What is the InChIKey of (E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide?
The InChIKey is MUBONCYUHDGEAB-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-10-8-11-5-2-3-6-12(11)15-13(16)7-4-9-14/h2-7H,8-10,14H2,1H3,(H,15,16)/b7-4+.
What are the key properties of (E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide?
(E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide has a molecular weight of 234.30 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide is sourced from PubChem (CID 112746849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).