(E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide

C24H28N2O2 — CID 141367752

IUPAC(E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide
SMILESNCCCCCCN(C(=O)/C=C/c1ccccc1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C24H28N2O2/c25-19-9-1-2-10-20-26(23(27)17-15-21-11-5-3-6-12-21)24(28)18-16-22-13-7-4-8-14-22/h3-8,11-18H,1-2,9-10,19-20,25H2/b17-15+,18-16+
InChIKeyBFEFJTMIKSVKNF-YTEMWHBBSA-N
MW376.50 g/mol
LogP4.29
Rot. Bonds10

About (E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide

(E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide (PubChem CID 141367752) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide
PubChem CID141367752
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide
SMILESNCCCCCCN(C(=O)/C=C/c1ccccc1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C24H28N2O2/c25-19-9-1-2-10-20-26(23(27)17-15-21-11-5-3-6-12-21)24(28)18-16-22-13-7-4-8-14-22/h3-8,11-18H,1-2,9-10,19-20,25H2/b17-15+,18-16+
InChIKeyBFEFJTMIKSVKNF-YTEMWHBBSA-N
XLogP4.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(3-aminopropyl)-N-[4-[3-aminopropyl(3-phenylprop-2-enoyl)amino]butyl]-3-phenylprop-2-enamide
CID 85302044
(E)-9-amino-1-phenylnon-1-en-3-one
CID 140555712
6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride
CID 19066595
(E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide
CID 70155111
ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid
CID 141192681
(E)-3-(4-chlorophenyl)-N-[2-(N-[(E)-3-(4-chlorophenyl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
CID 17195945
N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
CID 176654258
N,N-dihydroxy-3-phenylprop-2-enamide
CID 141104282
(E)-N-(6-aminohexyl)-N-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-phenylprop-2-enamide
CID 135622575
(E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide
CID 83969259
(E)-N-acetyl-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273810
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide?
The IUPAC name of (E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide (CID 141367752) is (E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide?
The canonical SMILES for (E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide is NCCCCCCN(C(=O)/C=C/c1ccccc1)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide?
The InChIKey is BFEFJTMIKSVKNF-YTEMWHBBSA-N. The full InChI is InChI=1S/C24H28N2O2/c25-19-9-1-2-10-20-26(23(27)17-15-21-11-5-3-6-12-21)24(28)18-16-22-13-7-4-8-14-22/h3-8,11-18H,1-2,9-10,19-20,25H2/b17-15+,18-16+.
What are the key properties of (E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide?
(E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide has a molecular weight of 376.50 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide is sourced from PubChem (CID 141367752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).