(E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide

C15H22N2O — CID 115342801

IUPAC(E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide
SMILESCCN(CC(C)C)C(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C15H22N2O/c1-4-17(11-12(2)3)15(18)9-8-13-6-5-7-14(16)10-13/h5-10,12H,4,11,16H2,1-3H3/b9-8+
InChIKeyGCXRCSVDHIQGDG-CMDGGOBGSA-N
MW246.35 g/mol
LogP2.79
Rot. Bonds5

About (E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide (PubChem CID 115342801) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide
PubChem CID115342801
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide
SMILESCCN(CC(C)C)C(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C15H22N2O/c1-4-17(11-12(2)3)15(18)9-8-13-6-5-7-14(16)10-13/h5-10,12H,4,11,16H2,1-3H3/b9-8+
InChIKeyGCXRCSVDHIQGDG-CMDGGOBGSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
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

(E)-3-(3-aminophenyl)-N,N-diethylprop-2-enamide
CID 39243869
(E)-3-(3-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)prop-2-enamide
CID 115343398
(E)-3-(3-aminophenyl)-N-ethyl-N-(2-methoxyethyl)prop-2-enamide
CID 115343730
(E)-3-(3-aminophenyl)-N-butan-2-yl-N-methylprop-2-enamide
CID 115342800
(E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide
CID 115343268
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-diethylpropanamide
CID 115343009
(E)-3-(3-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide
CID 115343885
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
3-[[(E)-3-(3-aminophenyl)prop-2-enoyl]-propan-2-ylamino]propanoic acid
CID 115343544
2-[3-(3-aminophenyl)prop-2-enoyl-methylamino]pentanoic acid
CID 175537141
4-methylpentan-2-yl (E)-3-(3-aminophenyl)prop-2-enoate
CID 113290477
(E)-3-(3-aminophenyl)-N-hexan-2-ylprop-2-enamide
CID 113290920

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide (CID 115342801) is (E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide is CCN(CC(C)C)C(=O)/C=C/c1cccc(N)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide?
The InChIKey is GCXRCSVDHIQGDG-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-17(11-12(2)3)15(18)9-8-13-6-5-7-14(16)10-13/h5-10,12H,4,11,16H2,1-3H3/b9-8+.
What are the key properties of (E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide has a molecular weight of 246.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 115342801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).