2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide

C14H19N3O2 — CID 115342934

IUPAC2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)/C=C/c1cccc(N)c1)C(=O)N(C)C
InChIInChI=1S/C14H19N3O2/c1-10(14(19)17(2)3)16-13(18)8-7-11-5-4-6-12(15)9-11/h4-10H,15H2,1-3H3,(H,16,18)/b8-7+
InChIKeyUEUUSNHEDFLOJP-BQYQJAHWSA-N
MW261.32 g/mol
LogP0.87
Rot. Bonds4

About 2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide

2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide (PubChem CID 115342934) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide
PubChem CID115342934
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)/C=C/c1cccc(N)c1)C(=O)N(C)C
InChIInChI=1S/C14H19N3O2/c1-10(14(19)17(2)3)16-13(18)8-7-11-5-4-6-12(15)9-11/h4-10H,15H2,1-3H3,(H,16,18)/b8-7+
InChIKeyUEUUSNHEDFLOJP-BQYQJAHWSA-N
XLogP0.87
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]-N,N-diethylpropanamide
CID 115343009
(E)-3-(3-aminophenyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]prop-2-enamide
CID 115343753
(E)-3-(3-aminophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 79023784
(E)-3-(3-aminophenyl)-N-(3-methylpentan-2-yl)prop-2-enamide
CID 115343736
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid
CID 115343495
(E)-3-(3-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide
CID 115343885
(E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide
CID 115344734
(E)-3-(3-aminophenyl)-N-hexan-2-ylprop-2-enamide
CID 113290920
(E)-3-(3-aminophenyl)-N-(1-pyridin-4-ylethyl)prop-2-enamide
CID 115342860
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,4-dimethylpentanamide
CID 115342997
(E)-3-(3-aminophenyl)-N-(1-thiophen-3-ylethyl)prop-2-enamide
CID 115344020
2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide
CID 103109148

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide (CID 115342934) is 2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide is CC(NC(=O)/C=C/c1cccc(N)c1)C(=O)N(C)C.
What is the InChIKey of 2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide?
The InChIKey is UEUUSNHEDFLOJP-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(14(19)17(2)3)16-13(18)8-7-11-5-4-6-12(15)9-11/h4-10H,15H2,1-3H3,(H,16,18)/b8-7+.
What are the key properties of 2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide?
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 115342934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).