ethane;1-(4-methylanilino)propan-2-one

C12H19NO — CID 143614458

IUPACethane;1-(4-methylanilino)propan-2-one
SMILESCC.CC(=O)CNc1ccc(C)cc1
InChIInChI=1S/C10H13NO.C2H6/c1-8-3-5-10(6-4-8)11-7-9(2)12;1-2/h3-6,11H,7H2,1-2H3;1-2H3
InChIKeyZIHVVHTTZTZCEF-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.02
Rot. Bonds3

About ethane;1-(4-methylanilino)propan-2-one

ethane;1-(4-methylanilino)propan-2-one (PubChem CID 143614458) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;1-(4-methylanilino)propan-2-one.

Molecular Properties

Compound Nameethane;1-(4-methylanilino)propan-2-one
PubChem CID143614458
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Nameethane;1-(4-methylanilino)propan-2-one
SMILESCC.CC(=O)CNc1ccc(C)cc1
InChIInChI=1S/C10H13NO.C2H6/c1-8-3-5-10(6-4-8)11-7-9(2)12;1-2/h3-6,11H,7H2,1-2H3;1-2H3
InChIKeyZIHVVHTTZTZCEF-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-oxopropylamino)anilino]propan-2-one
CID 141317857
ethane;1-(4-propan-2-ylanilino)propan-2-one
CID 143636599
2-(4-methylanilino)-1-phenylethanone
CID 4230722
2-amino-3-[4-(2-oxopropylamino)phenyl]propanoic acid;ethane
CID 145486712
1-(4-iodophenyl)-2-(4-methylanilino)ethanone
CID 35580992
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone
CID 82119914
N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837141
2-(4-iodoanilino)-1-(4-methylphenyl)ethanone
CID 110823714
3-[4-(2-oxopropylamino)phenyl]prop-2-enoic acid
CID 70107822
1-(3-fluoro-5-methylanilino)propan-2-one
CID 143897845
N-(4-methylphenyl)acetamide
CID 7684

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylanilino)propan-2-one?
The IUPAC name of ethane;1-(4-methylanilino)propan-2-one (CID 143614458) is ethane;1-(4-methylanilino)propan-2-one.
What is the SMILES notation for ethane;1-(4-methylanilino)propan-2-one?
The canonical SMILES for ethane;1-(4-methylanilino)propan-2-one is CC.CC(=O)CNc1ccc(C)cc1.
What is the InChIKey of ethane;1-(4-methylanilino)propan-2-one?
The InChIKey is ZIHVVHTTZTZCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C2H6/c1-8-3-5-10(6-4-8)11-7-9(2)12;1-2/h3-6,11H,7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-methylanilino)propan-2-one?
ethane;1-(4-methylanilino)propan-2-one has a molecular weight of 193.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylanilino)propan-2-one is sourced from PubChem (CID 143614458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).