3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide

C24H31NO4 — CID 3271455

IUPAC3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCCCCCCOc1ccc(C=CC(=O)Nc2cc(C)ccc2OC)cc1OC
InChIInChI=1S/C24H31NO4/c1-5-6-7-8-15-29-22-13-10-19(17-23(22)28-4)11-14-24(26)25-20-16-18(2)9-12-21(20)27-3/h9-14,16-17H,5-8,15H2,1-4H3,(H,25,26)
InChIKeyOJEXHODQDGOSCI-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.62
Rot. Bonds11

About 3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide

3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide (PubChem CID 3271455) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
PubChem CID3271455
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCCCCCCOc1ccc(C=CC(=O)Nc2cc(C)ccc2OC)cc1OC
InChIInChI=1S/C24H31NO4/c1-5-6-7-8-15-29-22-13-10-19(17-23(22)28-4)11-14-24(26)25-20-16-18(2)9-12-21(20)27-3/h9-14,16-17H,5-8,15H2,1-4H3,(H,25,26)
InChIKeyOJEXHODQDGOSCI-UHFFFAOYSA-N
XLogP5.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-hydroxy-4-methylphenyl)prop-2-enamide
CID 9495445
N-(3,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4086044
N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 3433188
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
(E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 19185169
(E)-3-(4-hexoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 102534554
2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 67889825
(E)-N-(4-bromo-2-fluorophenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 53267301
2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102534546
ethyl 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 131846335
3-(4-hexoxy-3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 2791081
(E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 19172071

Frequently Asked Questions

What is the IUPAC name of 3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
The IUPAC name of 3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide (CID 3271455) is 3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide is CCCCCCOc1ccc(C=CC(=O)Nc2cc(C)ccc2OC)cc1OC.
What is the InChIKey of 3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
The InChIKey is OJEXHODQDGOSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-5-6-7-8-15-29-22-13-10-19(17-23(22)28-4)11-14-24(26)25-20-16-18(2)9-12-21(20)27-3/h9-14,16-17H,5-8,15H2,1-4H3,(H,25,26).
What are the key properties of 3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide has a molecular weight of 397.52 g/mol, XLogP of 5.62, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide is sourced from PubChem (CID 3271455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).