N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide

C18H22N2O — CID 63107843

IUPACN-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide
SMILESCc1cccc(CNC(=O)c2ccccc2NC(C)C)c1
InChIInChI=1S/C18H22N2O/c1-13(2)20-17-10-5-4-9-16(17)18(21)19-12-15-8-6-7-14(3)11-15/h4-11,13,20H,12H2,1-3H3,(H,19,21)
InChIKeyQUFNIYOEXHOXAV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.75
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide

N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide (PubChem CID 63107843) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide
PubChem CID63107843
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide
SMILESCc1cccc(CNC(=O)c2ccccc2NC(C)C)c1
InChIInChI=1S/C18H22N2O/c1-13(2)20-17-10-5-4-9-16(17)18(21)19-12-15-8-6-7-14(3)11-15/h4-11,13,20H,12H2,1-3H3,(H,19,21)
InChIKeyQUFNIYOEXHOXAV-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 168597571
2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 63107619
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
2-[(2-cyanoacetyl)amino]-N-[(3-methylphenyl)methyl]benzamide
CID 168520890
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide
CID 10645141
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide
CID 34166968
4-N-(2-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046884
2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-[(3-methylphenyl)methyl]benzamide
CID 168560757
(3R)-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 95119935
N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 50949083

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide (CID 63107843) is N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide is Cc1cccc(CNC(=O)c2ccccc2NC(C)C)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide?
The InChIKey is QUFNIYOEXHOXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(2)20-17-10-5-4-9-16(17)18(21)19-12-15-8-6-7-14(3)11-15/h4-11,13,20H,12H2,1-3H3,(H,19,21).
What are the key properties of N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide?
N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 63107843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).