5-[3-(3,5-dimethoxyphenyl)prop-2-enoylamino]-2-methyl-N-propan-2-ylbenzamide

C22H26N2O4 — CID 72689330

IUPAC5-[3-(3,5-dimethoxyphenyl)prop-2-enoylamino]-2-methyl-N-propan-2-ylbenzamide
SMILESCOc1cc(C=CC(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)cc(OC)c1
InChIInChI=1S/C22H26N2O4/c1-14(2)23-22(26)20-12-17(8-6-15(20)3)24-21(25)9-7-16-10-18(27-4)13-19(11-16)28-5/h6-14H,1-5H3,(H,23,26)(H,24,25)
InChIKeyHKDKKHZEOXSUFQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.80
Rot. Bonds7

About 5-[3-(3,5-dimethoxyphenyl)prop-2-enoylamino]-2-methyl-N-propan-2-ylbenzamide

5-[3-(3,5-dimethoxyphenyl)prop-2-enoylamino]-2-methyl-N-propan-2-ylbenzamide (PubChem CID 72689330) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-[3-(3,5-dimethoxyphenyl)prop-2-enoylamino]-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-[3-(3,5-dimethoxyphenyl)prop-2-enoylamino]-2-methyl-N-propan-2-ylbenzamide
PubChem CID72689330
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name5-[3-(3,5-dimethoxyphenyl)prop-2-enoylamino]-2-methyl-N-propan-2-ylbenzamide
SMILESCOc1cc(C=CC(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)cc(OC)c1
InChIInChI=1S/C22H26N2O4/c1-14(2)23-22(26)20-12-17(8-6-15(20)3)24-21(25)9-7-16-10-18(27-4)13-19(11-16)28-5/h6-14H,1-5H3,(H,23,26)(H,24,25)
InChIKeyHKDKKHZEOXSUFQ-UHFFFAOYSA-N
XLogP3.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 790357
methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 26274205
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768
(E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26692900
N-cyclopropyl-4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51300094
(E)-3-(3,5-dimethoxyphenyl)-N-[4-[(2-methoxyacetyl)amino]phenyl]prop-2-enamide
CID 46568433
(E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 9072399
N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 883171
(E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26703055
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
(E)-3-(4-cyanophenyl)-N-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134131212
5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120592024

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-dimethoxyphenyl)prop-2-enoylamino]-2-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 5-[3-(3,5-dimethoxyphenyl)prop-2-enoylamino]-2-methyl-N-propan-2-ylbenzamide (CID 72689330) is 5-[3-(3,5-dimethoxyphenyl)prop-2-enoylamino]-2-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-[3-(3,5-dimethoxyphenyl)prop-2-enoylamino]-2-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 5-[3-(3,5-dimethoxyphenyl)prop-2-enoylamino]-2-methyl-N-propan-2-ylbenzamide is COc1cc(C=CC(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)cc(OC)c1.
What is the InChIKey of 5-[3-(3,5-dimethoxyphenyl)prop-2-enoylamino]-2-methyl-N-propan-2-ylbenzamide?
The InChIKey is HKDKKHZEOXSUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-14(2)23-22(26)20-12-17(8-6-15(20)3)24-21(25)9-7-16-10-18(27-4)13-19(11-16)28-5/h6-14H,1-5H3,(H,23,26)(H,24,25).
What are the key properties of 5-[3-(3,5-dimethoxyphenyl)prop-2-enoylamino]-2-methyl-N-propan-2-ylbenzamide?
5-[3-(3,5-dimethoxyphenyl)prop-2-enoylamino]-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-dimethoxyphenyl)prop-2-enoylamino]-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 72689330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).