(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide

C24H31NO3 — CID 8778842

IUPAC(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1OC
InChIInChI=1S/C24H31NO3/c1-7-28-22-15-18(11-13-21(22)27-6)12-14-23(26)25-24-19(16(2)3)9-8-10-20(24)17(4)5/h8-17H,7H2,1-6H3,(H,25,26)/b14-12+
InChIKeyBZWNIRIIKYJBMP-WYMLVPIESA-N
MW381.52 g/mol
LogP5.99
Rot. Bonds8

About (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide

(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide (PubChem CID 8778842) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
PubChem CID8778842
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1OC
InChIInChI=1S/C24H31NO3/c1-7-28-22-15-18(11-13-21(22)27-6)12-14-23(26)25-24-19(16(2)3)9-8-10-20(24)17(4)5/h8-17H,7H2,1-6H3,(H,25,26)/b14-12+
InChIKeyBZWNIRIIKYJBMP-WYMLVPIESA-N
XLogP5.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 3319250
N-(2,6-diethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 1189011
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 26736528
3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51152920
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 9071708
ethyl 3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 9228215
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 78771438
(E)-3-(2,5-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]prop-2-enamide
CID 8779040
(E)-N-[4-(dimethylamino)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 78776552
(E)-3-(3,4-dimethoxyphenyl)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)prop-2-enamide
CID 122355888
(E)-N-(2-butoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 166162419

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide (CID 8778842) is (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide is CCOc1cc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1OC.
What is the InChIKey of (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide?
The InChIKey is BZWNIRIIKYJBMP-WYMLVPIESA-N. The full InChI is InChI=1S/C24H31NO3/c1-7-28-22-15-18(11-13-21(22)27-6)12-14-23(26)25-24-19(16(2)3)9-8-10-20(24)17(4)5/h8-17H,7H2,1-6H3,(H,25,26)/b14-12+.
What are the key properties of (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide?
(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide has a molecular weight of 381.52 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 8778842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).