(E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide

C16H24N2O — CID 83969259

IUPAC(E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide
SMILESCCN(CCCCN)C(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C16H24N2O/c1-3-18(13-5-4-12-17)16(19)11-10-15-8-6-14(2)7-9-15/h6-11H,3-5,12-13,17H2,1-2H3/b11-10+
InChIKeySGYAQCQQPYYBGL-ZHACJKMWSA-N
MW260.38 g/mol
LogP2.60
Rot. Bonds7

About (E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide

(E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide (PubChem CID 83969259) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide
PubChem CID83969259
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide
SMILESCCN(CCCCN)C(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C16H24N2O/c1-3-18(13-5-4-12-17)16(19)11-10-15-8-6-14(2)7-9-15/h6-11H,3-5,12-13,17H2,1-2H3/b11-10+
InChIKeySGYAQCQQPYYBGL-ZHACJKMWSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Brn 2646116
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3-(4-Isobutylphenyl)-1-piperidino-2-propen-1-one
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n-Methylcinnamamide
CID 6039989
N,N-Diethylcinnamamide
CID 817779
Piperidine, 1-(1-oxo-3-phenyl-2-propenyl)-
CID 223147
(E)-3-Phenyl-1-Piperidin-1-Ylprop-2-En-1-One
CID 764160
Cinnamamide, N-allyl-, (E)-
CID 5371820
Cinnamamide, N-allyl-alpha-methyl-
CID 6435635
N-Benzylcrotonamide
CID 2313079
(E)-1-Cinnamoylpyrrolidine
CID 2056198

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide (CID 83969259) is (E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide is CCN(CCCCN)C(=O)/C=C/c1ccc(C)cc1.
What is the InChIKey of (E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is SGYAQCQQPYYBGL-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-18(13-5-4-12-17)16(19)11-10-15-8-6-14(2)7-9-15/h6-11H,3-5,12-13,17H2,1-2H3/b11-10+.
What are the key properties of (E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 260.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 83969259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).