N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide

C18H22N2O — CID 43789839

IUPACN-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H22N2O/c1-12-5-7-16(9-14(12)3)11-19-18-10-17(20-15(4)21)8-6-13(18)2/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyKBWUTFHDVRAVIV-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.18
Rot. Bonds4

About N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide

N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide (PubChem CID 43789839) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
PubChem CID43789839
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H22N2O/c1-12-5-7-16(9-14(12)3)11-19-18-10-17(20-15(4)21)8-6-13(18)2/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyKBWUTFHDVRAVIV-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-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 115876077
N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide
CID 60961965
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528
N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide
CID 55060453
N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 43739569
N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 63324854
N-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide
CID 63329529
4-[[5-(2,2-dimethylpropanoylamino)-2-methylanilino]methyl]benzoic acid
CID 122029834
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
CID 43739581
N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62475308
N-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide
CID 106936305

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide (CID 43789839) is N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(NCc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide?
The InChIKey is KBWUTFHDVRAVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-5-7-16(9-14(12)3)11-19-18-10-17(20-15(4)21)8-6-13(18)2/h5-10,19H,11H2,1-4H3,(H,20,21).
What are the key properties of N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide?
N-[3-[(3,4-dimethylphenyl)methylamino]-4-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-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide is sourced from PubChem (CID 43789839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).