N-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide

C24H21NO4 — CID 24764082

IUPACN-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide
SMILESCOc1cccc(/C=C/C(=O)N(C(=O)c2ccccc2)c2ccccc2)c1OC
InChIInChI=1S/C24H21NO4/c1-28-21-15-9-12-18(23(21)29-2)16-17-22(26)25(20-13-7-4-8-14-20)24(27)19-10-5-3-6-11-19/h3-17H,1-2H3/b17-16+
InChIKeyNANCZXMNXWYIFB-WUKNDPDISA-N
MW387.44 g/mol
LogP4.59
Rot. Bonds6

About N-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide

N-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide (PubChem CID 24764082) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide.

Molecular Properties

Compound NameN-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide
PubChem CID24764082
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC NameN-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide
SMILESCOc1cccc(/C=C/C(=O)N(C(=O)c2ccccc2)c2ccccc2)c1OC
InChIInChI=1S/C24H21NO4/c1-28-21-15-9-12-18(23(21)29-2)16-17-22(26)25(20-13-7-4-8-14-20)24(27)19-10-5-3-6-11-19/h3-17H,1-2H3/b17-16+
InChIKeyNANCZXMNXWYIFB-WUKNDPDISA-N
XLogP4.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4789480
(E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163798
[2-methoxy-6-(3-oxo-3-phenylprop-1-enyl)phenyl] N,N-dimethylcarbamate
CID 4901706
(E)-1-(2-bromophenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one
CID 7947000
1-[3-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]phenyl]-3-phenylurea
CID 11188838
1-phenyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54454091
3-(2,3-dimethoxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 70557139
(E)-3-(2,3-dimethoxyphenyl)-1-(4-ethylphenyl)prop-2-en-1-one
CID 9448295
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
(E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide
CID 2431859
1-(3,4-dichlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one
CID 5063512
[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 2364886

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide?
The IUPAC name of N-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide (CID 24764082) is N-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide.
What is the SMILES notation for N-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide?
The canonical SMILES for N-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide is COc1cccc(/C=C/C(=O)N(C(=O)c2ccccc2)c2ccccc2)c1OC.
What is the InChIKey of N-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide?
The InChIKey is NANCZXMNXWYIFB-WUKNDPDISA-N. The full InChI is InChI=1S/C24H21NO4/c1-28-21-15-9-12-18(23(21)29-2)16-17-22(26)25(20-13-7-4-8-14-20)24(27)19-10-5-3-6-11-19/h3-17H,1-2H3/b17-16+.
What are the key properties of N-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide?
N-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide has a molecular weight of 387.44 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide is sourced from PubChem (CID 24764082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).