4-(4-hydroxy-N-methylanilino)butan-2-one

C11H15NO2 — CID 118404132

IUPAC4-(4-hydroxy-N-methylanilino)butan-2-one
SMILESCC(=O)CCN(C)c1ccc(O)cc1
InChIInChI=1S/C11H15NO2/c1-9(13)7-8-12(2)10-3-5-11(14)6-4-10/h3-6,14H,7-8H2,1-2H3
InChIKeyIWZYSURQRMIMEN-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.81
Rot. Bonds4

About 4-(4-hydroxy-N-methylanilino)butan-2-one

4-(4-hydroxy-N-methylanilino)butan-2-one (PubChem CID 118404132) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(4-hydroxy-N-methylanilino)butan-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-N-methylanilino)butan-2-one
PubChem CID118404132
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-(4-hydroxy-N-methylanilino)butan-2-one
SMILESCC(=O)CCN(C)c1ccc(O)cc1
InChIInChI=1S/C11H15NO2/c1-9(13)7-8-12(2)10-3-5-11(14)6-4-10/h3-6,14H,7-8H2,1-2H3
InChIKeyIWZYSURQRMIMEN-UHFFFAOYSA-N
XLogP1.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-N-methylanilino)propan-2-one
CID 12814770
4-(4-ethylsulfonyl-N-methylanilino)butan-2-one
CID 115235556
4-(3-acetyl-N-methylanilino)butan-2-one
CID 117029542
2-(4-hydroxy-N-methylanilino)acetohydrazide
CID 63568860
4-(2,6-diethyl-N-methylanilino)butan-2-one
CID 117029527
benzene-1,4-diol;pentane-2,4-dione
CID 66906799
4-[butyl(methyl)amino]phenol;oxolane
CID 174421972
3-(N-methyl-4-propan-2-ylanilino)propanoic acid
CID 17244983
5-(dimethylamino)-N,N-bis(4-hydroxyphenyl)pentanamide
CID 54209709
4-[methyl(2-methylpropyl)amino]phenol
CID 57245584
ethyl 3-(4-acetyl-N-methylanilino)propanoate
CID 62004461
3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-N-methylanilino)butan-2-one?
The IUPAC name of 4-(4-hydroxy-N-methylanilino)butan-2-one (CID 118404132) is 4-(4-hydroxy-N-methylanilino)butan-2-one.
What is the SMILES notation for 4-(4-hydroxy-N-methylanilino)butan-2-one?
The canonical SMILES for 4-(4-hydroxy-N-methylanilino)butan-2-one is CC(=O)CCN(C)c1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxy-N-methylanilino)butan-2-one?
The InChIKey is IWZYSURQRMIMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(13)7-8-12(2)10-3-5-11(14)6-4-10/h3-6,14H,7-8H2,1-2H3.
What are the key properties of 4-(4-hydroxy-N-methylanilino)butan-2-one?
4-(4-hydroxy-N-methylanilino)butan-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-N-methylanilino)butan-2-one is sourced from PubChem (CID 118404132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).