(E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide

C24H39NO3 — CID 19166248

IUPAC(E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
SMILESCCCCCCOc1ccc(/C=C/C(=O)N(CC(C)C)CC(C)C)cc1OC
InChIInChI=1S/C24H39NO3/c1-7-8-9-10-15-28-22-13-11-21(16-23(22)27-6)12-14-24(26)25(17-19(2)3)18-20(4)5/h11-14,16,19-20H,7-10,15,17-18H2,1-6H3/b14-12+
InChIKeyWWGYTZIYJLUTLJ-WYMLVPIESA-N
MW389.58 g/mol
LogP5.81
Rot. Bonds13

About (E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide

(E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide (PubChem CID 19166248) has the molecular formula C24H39NO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is (E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
PubChem CID19166248
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC Name(E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
SMILESCCCCCCOc1ccc(/C=C/C(=O)N(CC(C)C)CC(C)C)cc1OC
InChIInChI=1S/C24H39NO3/c1-7-8-9-10-15-28-22-13-11-21(16-23(22)27-6)12-14-24(26)25(17-19(2)3)18-20(4)5/h11-14,16,19-20H,7-10,15,17-18H2,1-6H3/b14-12+
InChIKeyWWGYTZIYJLUTLJ-WYMLVPIESA-N
XLogP5.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 55.81
H-Bond Donors ≤ 50
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

3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 719513
(E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 19172071
ethyl 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 131846335
2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 102534548
(E)-3-(4-hexoxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 134814022
(4-butoxyphenyl) 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 91554965
(4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 19184908
(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 21322652
(1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(3-methoxy-4-pentoxyphenyl)hepta-1,6-diene-3,5-dione
CID 46946665
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
3-(4-butoxy-3-methoxyphenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 78770033
2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102534546

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide (CID 19166248) is (E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide is CCCCCCOc1ccc(/C=C/C(=O)N(CC(C)C)CC(C)C)cc1OC.
What is the InChIKey of (E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide?
The InChIKey is WWGYTZIYJLUTLJ-WYMLVPIESA-N. The full InChI is InChI=1S/C24H39NO3/c1-7-8-9-10-15-28-22-13-11-21(16-23(22)27-6)12-14-24(26)25(17-19(2)3)18-20(4)5/h11-14,16,19-20H,7-10,15,17-18H2,1-6H3/b14-12+.
What are the key properties of (E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide?
(E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide has a molecular weight of 389.58 g/mol, XLogP of 5.81, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 19166248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).