1-(N-benzyl-2-methylanilino)propan-2-one

C17H19NO — CID 21318921

IUPAC1-(N-benzyl-2-methylanilino)propan-2-one
SMILESCC(=O)CN(Cc1ccccc1)c1ccccc1C
InChIInChI=1S/C17H19NO/c1-14-8-6-7-11-17(14)18(12-15(2)19)13-16-9-4-3-5-10-16/h3-11H,12-13H2,1-2H3
InChIKeySMGYQSGAVVQSSX-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.59
Rot. Bonds5

About 1-(N-benzyl-2-methylanilino)propan-2-one

1-(N-benzyl-2-methylanilino)propan-2-one (PubChem CID 21318921) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(N-benzyl-2-methylanilino)propan-2-one.

Molecular Properties

Compound Name1-(N-benzyl-2-methylanilino)propan-2-one
PubChem CID21318921
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-(N-benzyl-2-methylanilino)propan-2-one
SMILESCC(=O)CN(Cc1ccccc1)c1ccccc1C
InChIInChI=1S/C17H19NO/c1-14-8-6-7-11-17(14)18(12-15(2)19)13-16-9-4-3-5-10-16/h3-11H,12-13H2,1-2H3
InChIKeySMGYQSGAVVQSSX-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[N-[(4-bromophenyl)methyl]-2-methylanilino]propanoic acid
CID 60840611
N-benzyl-N-(2,3-dimethylphenyl)acetamide
CID 71247731
2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid
CID 39361394
N-methyl-2-[2-methyl-N-[(2-methylphenyl)methyl]anilino]acetamide
CID 47092405
3-[N-[(3-fluorophenyl)methyl]-2-methylanilino]-2-methylpropanoic acid
CID 82320080
1-benzyl-2,2-dimethyl-1-(2-methylphenyl)hydrazine
CID 139743962
2-[2-methyl-N-[[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]anilino]acetic acid
CID 145488906
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
(2-methylphenyl)-oxidocarbamic acid
CID 131721115
1-[2-(dibenzylamino)phenyl]propan-1-one
CID 174718965

Frequently Asked Questions

What is the IUPAC name of 1-(N-benzyl-2-methylanilino)propan-2-one?
The IUPAC name of 1-(N-benzyl-2-methylanilino)propan-2-one (CID 21318921) is 1-(N-benzyl-2-methylanilino)propan-2-one.
What is the SMILES notation for 1-(N-benzyl-2-methylanilino)propan-2-one?
The canonical SMILES for 1-(N-benzyl-2-methylanilino)propan-2-one is CC(=O)CN(Cc1ccccc1)c1ccccc1C.
What is the InChIKey of 1-(N-benzyl-2-methylanilino)propan-2-one?
The InChIKey is SMGYQSGAVVQSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-14-8-6-7-11-17(14)18(12-15(2)19)13-16-9-4-3-5-10-16/h3-11H,12-13H2,1-2H3.
What are the key properties of 1-(N-benzyl-2-methylanilino)propan-2-one?
1-(N-benzyl-2-methylanilino)propan-2-one has a molecular weight of 253.35 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-benzyl-2-methylanilino)propan-2-one is sourced from PubChem (CID 21318921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).