(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide

C11H14N2O — CID 39238221

IUPAC(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C11H14N2O/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-8H,2,12H2,1H3,(H,13,14)/b7-6+
InChIKeyDRSCGTCERGZIDB-VOTSOKGWSA-N
MW190.25 g/mol
LogP1.42
Rot. Bonds3

About (E)-3-(3-aminophenyl)-N-ethylprop-2-enamide

(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide (PubChem CID 39238221) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
PubChem CID39238221
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C11H14N2O/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-8H,2,12H2,1H3,(H,13,14)/b7-6+
InChIKeyDRSCGTCERGZIDB-VOTSOKGWSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]acetic acid
CID 115343485
(E)-3-(3-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]prop-2-enamide
CID 106255530
(E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide
CID 115343655
(E)-3-(3-aminophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 115342777
(E)-3-(3-aminophenyl)-N-(2,3-dihydroxypropyl)prop-2-enamide
CID 115344489
(E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide
CID 114332120
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-2-methylpentanoic acid
CID 115343532
2-[[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]methyl]-3-methylbutanoic acid
CID 115344380
4-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 115344698
(E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 115344482
(E)-3-(3-aminophenyl)-N-[(4-methylcyclohexyl)methyl]prop-2-enamide
CID 115344108
(E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide
CID 115343618

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-ethylprop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-ethylprop-2-enamide (CID 39238221) is (E)-3-(3-aminophenyl)-N-ethylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-ethylprop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-ethylprop-2-enamide is CCNC(=O)/C=C/c1cccc(N)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-ethylprop-2-enamide?
The InChIKey is DRSCGTCERGZIDB-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-8H,2,12H2,1H3,(H,13,14)/b7-6+.
What are the key properties of (E)-3-(3-aminophenyl)-N-ethylprop-2-enamide?
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide has a molecular weight of 190.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 39238221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).