N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide

C18H19NO2 — CID 668253

IUPACN-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C18H19NO2/c1-13-5-4-6-17(14(13)2)19-18(20)12-9-15-7-10-16(21-3)11-8-15/h4-12H,1-3H3,(H,19,20)
InChIKeyLLSMORTVHPBACF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.96
Rot. Bonds4

About N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide

N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 668253) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID668253
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C18H19NO2/c1-13-5-4-6-17(14(13)2)19-18(20)12-9-15-7-10-16(21-3)11-8-15/h4-12H,1-3H3,(H,19,20)
InChIKeyLLSMORTVHPBACF-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
(Z)-N-[(2,3-dimethylphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92949934
(E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 8714203
N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761245
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
4-[(E)-3-(2,3-dimethylanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134061980
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 707164
(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 896961
(E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 46485503
(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 99996652
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 668253) is N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(C=CC(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is LLSMORTVHPBACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-5-4-6-17(14(13)2)19-18(20)12-9-15-7-10-16(21-3)11-8-15/h4-12H,1-3H3,(H,19,20).
What are the key properties of N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 668253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).