(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide

C18H19NO3 — CID 967235

IUPAC(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H19NO3/c1-13-4-6-14(7-5-13)8-11-18(20)19-15-9-10-16(21-2)17(12-15)22-3/h4-12H,1-3H3,(H,19,20)/b11-8+
InChIKeyCAPNZWDXHQLNOI-DHZHZOJOSA-N
MW297.35 g/mol
LogP3.66
Rot. Bonds5

About (E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide

(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 967235) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID967235
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H19NO3/c1-13-4-6-14(7-5-13)8-11-18(20)19-15-9-10-16(21-2)17(12-15)22-3/h4-12H,1-3H3,(H,19,20)/b11-8+
InChIKeyCAPNZWDXHQLNOI-DHZHZOJOSA-N
XLogP3.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.66
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-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26364650
(E)-N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7668851
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
(E)-3-(3-chloro-4-methylphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26695081
(E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide
CID 11068279
(E)-3-(3,4-dimethoxyphenyl)-N-(3-iodo-4-methylphenyl)prop-2-enamide
CID 2676703
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907165
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-methylphenyl)carbamothioyl]prop-2-enamide
CID 6308317
(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389
(E)-3-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-N-hydroxyprop-2-enamide
CID 88960787
(E)-3-(4-acetamidophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 31252704
N-(4-acetamidophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 3454977

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide (CID 967235) is (E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1OC.
What is the InChIKey of (E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is CAPNZWDXHQLNOI-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-4-6-14(7-5-13)8-11-18(20)19-15-9-10-16(21-2)17(12-15)22-3/h4-12H,1-3H3,(H,19,20)/b11-8+.
What are the key properties of (E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 297.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 967235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).