(E)-3-(2-aminophenyl)-N,N-dihexylprop-2-enamide

C21H34N2O — CID 11973969

IUPAC(E)-3-(2-aminophenyl)-N,N-dihexylprop-2-enamide
SMILESCCCCCCN(CCCCCC)C(=O)/C=C/c1ccccc1N
InChIInChI=1S/C21H34N2O/c1-3-5-7-11-17-23(18-12-8-6-4-2)21(24)16-15-19-13-9-10-14-20(19)22/h9-10,13-16H,3-8,11-12,17-18,22H2,1-2H3/b16-15+
InChIKeyPRHQEYKBDKXVGF-FOCLMDBBSA-N
MW330.52 g/mol
LogP5.27
Rot. Bonds12

About (E)-3-(2-aminophenyl)-N,N-dihexylprop-2-enamide

(E)-3-(2-aminophenyl)-N,N-dihexylprop-2-enamide (PubChem CID 11973969) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is (E)-3-(2-aminophenyl)-N,N-dihexylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-aminophenyl)-N,N-dihexylprop-2-enamide
PubChem CID11973969
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name(E)-3-(2-aminophenyl)-N,N-dihexylprop-2-enamide
SMILESCCCCCCN(CCCCCC)C(=O)/C=C/c1ccccc1N
InChIInChI=1S/C21H34N2O/c1-3-5-7-11-17-23(18-12-8-6-4-2)21(24)16-15-19-13-9-10-14-20(19)22/h9-10,13-16H,3-8,11-12,17-18,22H2,1-2H3/b16-15+
InChIKeyPRHQEYKBDKXVGF-FOCLMDBBSA-N
XLogP5.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(2-aminophenyl)-N,N-dihexylprop-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

3-(2,6-dichlorophenyl)-N,N-dihexylprop-2-enamide
CID 4626458
(E)-N,N,N',N'-tetrahexylbut-2-enediamide
CID 91739801
N,N-dioctyl-4,4,4-triphenylbut-2-enamide
CID 67077012
(E)-3-[3-(trifluoromethyl)phenyl]-N,N-di(undecyl)prop-2-enamide
CID 5353243
(Z)-4-(dioctadecylamino)-4-oxobut-2-enoic acid
CID 88519286
(E)-N,N-dibutyl-3-(2,6-dichlorophenyl)prop-2-enamide
CID 6076120
N-(3-aminopropyl)-N-[4-[3-aminopropyl(3-phenylprop-2-enoyl)amino]butyl]-3-phenylprop-2-enamide
CID 85302044
1,1-di(tetradecyl)urea;1,2-xylene
CID 66809086
2-hydroxy-N,N-dioctadecylbenzamide
CID 58731350
(Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide
CID 94760106
heptyl (E)-4-[di(nonyl)amino]-4-oxobut-2-enoate
CID 91739942
ethyl (E)-3-(2-heptoxyphenyl)prop-2-enoate
CID 69051271

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-aminophenyl)-N,N-dihexylprop-2-enamide?
The IUPAC name of (E)-3-(2-aminophenyl)-N,N-dihexylprop-2-enamide (CID 11973969) is (E)-3-(2-aminophenyl)-N,N-dihexylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-aminophenyl)-N,N-dihexylprop-2-enamide?
The canonical SMILES for (E)-3-(2-aminophenyl)-N,N-dihexylprop-2-enamide is CCCCCCN(CCCCCC)C(=O)/C=C/c1ccccc1N.
What is the InChIKey of (E)-3-(2-aminophenyl)-N,N-dihexylprop-2-enamide?
The InChIKey is PRHQEYKBDKXVGF-FOCLMDBBSA-N. The full InChI is InChI=1S/C21H34N2O/c1-3-5-7-11-17-23(18-12-8-6-4-2)21(24)16-15-19-13-9-10-14-20(19)22/h9-10,13-16H,3-8,11-12,17-18,22H2,1-2H3/b16-15+.
What are the key properties of (E)-3-(2-aminophenyl)-N,N-dihexylprop-2-enamide?
(E)-3-(2-aminophenyl)-N,N-dihexylprop-2-enamide has a molecular weight of 330.52 g/mol, XLogP of 5.27, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-aminophenyl)-N,N-dihexylprop-2-enamide is sourced from PubChem (CID 11973969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).