N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide

C18H22N2O — CID 60980390

IUPACN-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2cccc(C)c2C)ccc1C
InChIInChI=1S/C18H22N2O/c1-12-6-5-7-16(14(12)3)11-19-17-9-8-13(2)18(10-17)20-15(4)21/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyXEVQVCVXTUIJEF-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.18
Rot. Bonds4

About N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide

N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide (PubChem CID 60980390) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide
PubChem CID60980390
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2cccc(C)c2C)ccc1C
InChIInChI=1S/C18H22N2O/c1-12-6-5-7-16(14(12)3)11-19-17-9-8-13(2)18(10-17)20-15(4)21/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyXEVQVCVXTUIJEF-UHFFFAOYSA-N
XLogP4.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide
CID 43735923
N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide
CID 115904078
N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide
CID 60980258
methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate
CID 60981212
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528
N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 43735899
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
N-[2-methyl-5-(2-phenylethylamino)phenyl]acetamide
CID 43735891
N-[4-[(5-fluoro-2-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 103943723
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide
CID 60536243
N-[(2,3-dimethylphenyl)methyl]-2-methylaniline
CID 54944772

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide (CID 60980390) is N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide is CC(=O)Nc1cc(NCc2cccc(C)c2C)ccc1C.
What is the InChIKey of N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide?
The InChIKey is XEVQVCVXTUIJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-6-5-7-16(14(12)3)11-19-17-9-8-13(2)18(10-17)20-15(4)21/h5-10,19H,11H2,1-4H3,(H,20,21).
What are the key properties of N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide?
N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide has a molecular weight of 282.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 60980390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).