(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide

C23H29NO3 — CID 26086671

IUPAC(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
SMILESCCCCOc1ccc(/C=C/C(=O)Nc2c(C)cccc2CC)cc1OC
InChIInChI=1S/C23H29NO3/c1-5-7-15-27-20-13-11-18(16-21(20)26-4)12-14-22(25)24-23-17(3)9-8-10-19(23)6-2/h8-14,16H,5-7,15H2,1-4H3,(H,24,25)/b14-12+
InChIKeyKDCYSORJBBTZQI-WYMLVPIESA-N
MW367.49 g/mol
LogP5.40
Rot. Bonds9

About (E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide

(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide (PubChem CID 26086671) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
PubChem CID26086671
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
SMILESCCCCOc1ccc(/C=C/C(=O)Nc2c(C)cccc2CC)cc1OC
InChIInChI=1S/C23H29NO3/c1-5-7-15-27-20-13-11-18(16-21(20)26-4)12-14-22(25)24-23-17(3)9-8-10-19(23)6-2/h8-14,16H,5-7,15H2,1-4H3,(H,24,25)/b14-12+
InChIKeyKDCYSORJBBTZQI-WYMLVPIESA-N
XLogP5.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.40
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-(2,6-diethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 1189011
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 7900240
(E)-3-(3,4-dimethoxyphenyl)-N-[(2-ethyl-6-methylphenyl)carbamothioyl]prop-2-enamide
CID 6234252
N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 3433188
(E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188946
N-(3,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4086044
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563
3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 963630
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-hydroxy-4-methylphenyl)prop-2-enamide
CID 9495445
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 26197747
3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 3271455

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide (CID 26086671) is (E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide is CCCCOc1ccc(/C=C/C(=O)Nc2c(C)cccc2CC)cc1OC.
What is the InChIKey of (E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
The InChIKey is KDCYSORJBBTZQI-WYMLVPIESA-N. The full InChI is InChI=1S/C23H29NO3/c1-5-7-15-27-20-13-11-18(16-21(20)26-4)12-14-22(25)24-23-17(3)9-8-10-19(23)6-2/h8-14,16H,5-7,15H2,1-4H3,(H,24,25)/b14-12+.
What are the key properties of (E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide has a molecular weight of 367.49 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide is sourced from PubChem (CID 26086671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).