(E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide

C22H27NO3 — CID 43906876

IUPAC(E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide
SMILESCOc1cccc(OC)c1/C=C/C(=O)NC(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C22H27NO3/c1-14-12-16(3)19(13-15(14)2)17(4)23-22(24)11-10-18-20(25-5)8-7-9-21(18)26-6/h7-13,17H,1-6H3,(H,23,24)/b11-10+
InChIKeyCNRASQMKPAYPAZ-ZHACJKMWSA-N
MW353.46 g/mol
LogP4.52
Rot. Bonds6

About (E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide

(E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide (PubChem CID 43906876) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is (E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide
PubChem CID43906876
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name(E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide
SMILESCOc1cccc(OC)c1/C=C/C(=O)NC(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C22H27NO3/c1-14-12-16(3)19(13-15(14)2)17(4)23-22(24)11-10-18-20(25-5)8-7-9-21(18)26-6/h7-13,17H,1-6H3,(H,23,24)/b11-10+
InChIKeyCNRASQMKPAYPAZ-ZHACJKMWSA-N
XLogP4.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.52
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

(E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 28560821
2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402642
(E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide
CID 133217649
(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 28580052
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618934
(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618935
(E)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7719138
(E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide
CID 51149237
3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 963632
(E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 51144624
(E)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 133186119
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 4820314

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide (CID 43906876) is (E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide is COc1cccc(OC)c1/C=C/C(=O)NC(C)c1cc(C)c(C)cc1C.
What is the InChIKey of (E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide?
The InChIKey is CNRASQMKPAYPAZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H27NO3/c1-14-12-16(3)19(13-15(14)2)17(4)23-22(24)11-10-18-20(25-5)8-7-9-21(18)26-6/h7-13,17H,1-6H3,(H,23,24)/b11-10+.
What are the key properties of (E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide?
(E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide has a molecular weight of 353.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 43906876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).