N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide

C18H22N2O — CID 43767557

IUPACN-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide
SMILESCNC(=O)c1cccc(NC(c2ccccc2)C(C)C)c1
InChIInChI=1S/C18H22N2O/c1-13(2)17(14-8-5-4-6-9-14)20-16-11-7-10-15(12-16)18(21)19-3/h4-13,17,20H,1-3H3,(H,19,21)
InChIKeyPZEOFDKEOVPCIW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.86
Rot. Bonds5

About N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide

N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide (PubChem CID 43767557) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide
PubChem CID43767557
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide
SMILESCNC(=O)c1cccc(NC(c2ccccc2)C(C)C)c1
InChIInChI=1S/C18H22N2O/c1-13(2)17(14-8-5-4-6-9-14)20-16-11-7-10-15(12-16)18(21)19-3/h4-13,17,20H,1-3H3,(H,19,21)
InChIKeyPZEOFDKEOVPCIW-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea
CID 43790841
methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate
CID 17393629
3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide
CID 43202783
N-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide
CID 95302647
3-(1-phenylethylamino)-N-propan-2-ylbenzamide
CID 43693971
3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43181477
3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-N-methylbenzamide
CID 143675464
N-methyl-3-(1-thiophen-2-ylethylamino)benzamide
CID 43202793
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9133031
3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide
CID 43761251
N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide
CID 51080300
3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide
CID 18086382

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide?
The IUPAC name of N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide (CID 43767557) is N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide.
What is the SMILES notation for N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide?
The canonical SMILES for N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide is CNC(=O)c1cccc(NC(c2ccccc2)C(C)C)c1.
What is the InChIKey of N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide?
The InChIKey is PZEOFDKEOVPCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(2)17(14-8-5-4-6-9-14)20-16-11-7-10-15(12-16)18(21)19-3/h4-13,17,20H,1-3H3,(H,19,21).
What are the key properties of N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide?
N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide is sourced from PubChem (CID 43767557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).