N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide

C24H31NO3 — CID 3433188

IUPACN-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
SMILESCCCCCCOc1ccc(C=CC(=O)Nc2ccccc2CC)cc1OC
InChIInChI=1S/C24H31NO3/c1-4-6-7-10-17-28-22-15-13-19(18-23(22)27-3)14-16-24(26)25-21-12-9-8-11-20(21)5-2/h8-9,11-16,18H,4-7,10,17H2,1-3H3,(H,25,26)
InChIKeyGGBQBMIMIUFRJX-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.87
Rot. Bonds11

About N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide

N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide (PubChem CID 3433188) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
PubChem CID3433188
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC NameN-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
SMILESCCCCCCOc1ccc(C=CC(=O)Nc2ccccc2CC)cc1OC
InChIInChI=1S/C24H31NO3/c1-4-6-7-10-17-28-22-15-13-19(18-23(22)27-3)14-16-24(26)25-21-12-9-8-11-20(21)5-2/h8-9,11-16,18H,4-7,10,17H2,1-3H3,(H,25,26)
InChIKeyGGBQBMIMIUFRJX-UHFFFAOYSA-N
XLogP5.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.87
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

2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 67889825
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 3271455
(E)-3-(4-hexoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 102534554
3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 4094107
N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 5127825
N-(3,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4086044
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 26086671
(E)-N-(2-butoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 166162419
methyl 2-[3-(3-methoxy-4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 4224140
(E)-3-(3-butoxy-4-methoxyphenyl)-N-(2-formylphenyl)prop-2-enamide
CID 89064875
(E)-N-(4-bromo-2-fluorophenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 53267301

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide (CID 3433188) is N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide is CCCCCCOc1ccc(C=CC(=O)Nc2ccccc2CC)cc1OC.
What is the InChIKey of N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide?
The InChIKey is GGBQBMIMIUFRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-4-6-7-10-17-28-22-15-13-19(18-23(22)27-3)14-16-24(26)25-21-12-9-8-11-20(21)5-2/h8-9,11-16,18H,4-7,10,17H2,1-3H3,(H,25,26).
What are the key properties of N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide?
N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide has a molecular weight of 381.52 g/mol, XLogP of 5.87, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3433188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).