(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide

C22H27NO3 — CID 2533542

IUPAC(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)N(C)Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H27NO3/c1-16(2)18-8-6-17(7-9-18)15-23(3)22(24)13-10-19-14-20(25-4)11-12-21(19)26-5/h6-14,16H,15H2,1-5H3/b13-10+
InChIKeySTSKJSRRWHKBFH-JLHYYAGUSA-N
MW353.46 g/mol
LogP4.50
Rot. Bonds7

About (E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide

(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide (PubChem CID 2533542) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide
PubChem CID2533542
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)N(C)Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H27NO3/c1-16(2)18-8-6-17(7-9-18)15-23(3)22(24)13-10-19-14-20(25-4)11-12-21(19)26-5/h6-14,16H,15H2,1-5H3/b13-10+
InChIKeySTSKJSRRWHKBFH-JLHYYAGUSA-N
XLogP4.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
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-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 7958598
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78770928
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 34984603
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 9482673
(E)-N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide
CID 2531167
3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide
CID 55918463
(E)-N-[2-(diethylamino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide
CID 31369474
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 134059120
3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-N-methylprop-2-enamide
CID 55875195
(E)-3-(2,3-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 39972101
(E)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide
CID 26656183
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide
CID 78816997

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide (CID 2533542) is (E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide is COc1ccc(OC)c(/C=C/C(=O)N(C)Cc2ccc(C(C)C)cc2)c1.
What is the InChIKey of (E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide?
The InChIKey is STSKJSRRWHKBFH-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H27NO3/c1-16(2)18-8-6-17(7-9-18)15-23(3)22(24)13-10-19-14-20(25-4)11-12-21(19)26-5/h6-14,16H,15H2,1-5H3/b13-10+.
What are the key properties of (E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide?
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide has a molecular weight of 353.46 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 2533542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).