1-[4-(2-oxopropylamino)anilino]propan-2-one

C12H16N2O2 — CID 141317857

IUPAC1-[4-(2-oxopropylamino)anilino]propan-2-one
SMILESCC(=O)CNc1ccc(NCC(C)=O)cc1
InChIInChI=1S/C12H16N2O2/c1-9(15)7-13-11-3-5-12(6-4-11)14-8-10(2)16/h3-6,13-14H,7-8H2,1-2H3
InChIKeyXKUJIZOCAYLMBV-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.69
Rot. Bonds6

About 1-[4-(2-oxopropylamino)anilino]propan-2-one

1-[4-(2-oxopropylamino)anilino]propan-2-one (PubChem CID 141317857) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[4-(2-oxopropylamino)anilino]propan-2-one.

Molecular Properties

Compound Name1-[4-(2-oxopropylamino)anilino]propan-2-one
PubChem CID141317857
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-[4-(2-oxopropylamino)anilino]propan-2-one
SMILESCC(=O)CNc1ccc(NCC(C)=O)cc1
InChIInChI=1S/C12H16N2O2/c1-9(15)7-13-11-3-5-12(6-4-11)14-8-10(2)16/h3-6,13-14H,7-8H2,1-2H3
InChIKeyXKUJIZOCAYLMBV-UHFFFAOYSA-N
XLogP1.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-(4-methylanilino)propan-2-one
CID 143614458
ethane;1-(4-propan-2-ylanilino)propan-2-one
CID 143636599
3-[4-(2-oxopropylamino)phenyl]prop-2-enoic acid
CID 70107822
2-amino-3-[4-(2-oxopropylamino)phenyl]propanoic acid;ethane
CID 145486712
1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
CID 115234414
1-(3-chloroanilino)propan-2-one
CID 21364413
2-(4-bromoanilino)acetic acid
CID 6917281
N-[4-(2-oxopropylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 22299162
2-(4-bromoanilino)-N,N-dimethylacetamide
CID 28581140
1-(3-fluoro-5-methylanilino)propan-2-one
CID 143897845
1-[3-(2-hydroxyethyl)anilino]propan-2-one
CID 174381535
N-[(E)-benzylideneamino]-4-(2-oxopropylamino)benzenesulfonamide
CID 6900166

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxopropylamino)anilino]propan-2-one?
The IUPAC name of 1-[4-(2-oxopropylamino)anilino]propan-2-one (CID 141317857) is 1-[4-(2-oxopropylamino)anilino]propan-2-one.
What is the SMILES notation for 1-[4-(2-oxopropylamino)anilino]propan-2-one?
The canonical SMILES for 1-[4-(2-oxopropylamino)anilino]propan-2-one is CC(=O)CNc1ccc(NCC(C)=O)cc1.
What is the InChIKey of 1-[4-(2-oxopropylamino)anilino]propan-2-one?
The InChIKey is XKUJIZOCAYLMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(15)7-13-11-3-5-12(6-4-11)14-8-10(2)16/h3-6,13-14H,7-8H2,1-2H3.
What are the key properties of 1-[4-(2-oxopropylamino)anilino]propan-2-one?
1-[4-(2-oxopropylamino)anilino]propan-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxopropylamino)anilino]propan-2-one is sourced from PubChem (CID 141317857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).