N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide

C18H18N2O2 — CID 9164572

IUPACN-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18N2O2/c1-13-3-5-14(6-4-13)7-12-17(21)20-16-10-8-15(9-11-16)18(22)19-2/h3-12H,1-2H3,(H,19,22)(H,20,21)/b12-7+
InChIKeyXPUOEZBVJLVQBV-KPKJPENVSA-N
MW294.35 g/mol
LogP3.01
Rot. Bonds4

About N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide

N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide (PubChem CID 9164572) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
PubChem CID9164572
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18N2O2/c1-13-3-5-14(6-4-13)7-12-17(21)20-16-10-8-15(9-11-16)18(22)19-2/h3-12H,1-2H3,(H,19,22)(H,20,21)/b12-7+
InChIKeyXPUOEZBVJLVQBV-KPKJPENVSA-N
XLogP3.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-(4-acetamidoanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134040656
4-[(E)-3-[4-(carbamoylamino)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 46557826
4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide
CID 17218767
N-methyl-4-[(E)-3-[4-(3-methylbutanoylamino)anilino]-3-oxoprop-1-enyl]benzamide
CID 46556757
(E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 917674
[2-(4-methylanilino)-2-oxoethyl] (E)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoate
CID 38816941
4-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-N-methylbenzamide
CID 24635591
4-[3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 55878504
(E)-N,3-bis(4-methylphenyl)prop-2-enamide;(4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 158955701
4-[3-[(6-bromo-5-methyl-3-pyridinyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 91944206
4-[(E)-3-(2,3-dimethylanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134061980
4-tert-butyl-N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17232322

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide (CID 9164572) is N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide is CNC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1.
What is the InChIKey of N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is XPUOEZBVJLVQBV-KPKJPENVSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-3-5-14(6-4-13)7-12-17(21)20-16-10-8-15(9-11-16)18(22)19-2/h3-12H,1-2H3,(H,19,22)(H,20,21)/b12-7+.
What are the key properties of N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide?
N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 294.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 9164572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).