4-(benzylamino)-2-hydroxy-2-methyloctan-3-one

C16H25NO2 — CID 14791550

IUPAC4-(benzylamino)-2-hydroxy-2-methyloctan-3-one
SMILESCCCCC(NCc1ccccc1)C(=O)C(C)(C)O
InChIInChI=1S/C16H25NO2/c1-4-5-11-14(15(18)16(2,3)19)17-12-13-9-7-6-8-10-13/h6-10,14,17,19H,4-5,11-12H2,1-3H3
InChIKeyINDJUQKCAKEMBA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.67
Rot. Bonds8

About 4-(benzylamino)-2-hydroxy-2-methyloctan-3-one

4-(benzylamino)-2-hydroxy-2-methyloctan-3-one (PubChem CID 14791550) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-(benzylamino)-2-hydroxy-2-methyloctan-3-one.

Molecular Properties

Compound Name4-(benzylamino)-2-hydroxy-2-methyloctan-3-one
PubChem CID14791550
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-(benzylamino)-2-hydroxy-2-methyloctan-3-one
SMILESCCCCC(NCc1ccccc1)C(=O)C(C)(C)O
InChIInChI=1S/C16H25NO2/c1-4-5-11-14(15(18)16(2,3)19)17-12-13-9-7-6-8-10-13/h6-10,14,17,19H,4-5,11-12H2,1-3H3
InChIKeyINDJUQKCAKEMBA-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(benzylamino)hexanoic acid
CID 129366307
2-(benzylamino)nonanoic acid
CID 54889620
tert-butyl 2-(benzylamino)decanoate
CID 162010682
2-(pyridin-4-ylmethylamino)hexanoic acid
CID 103236246
methyl 2-(2-phenylethylamino)hexanoate
CID 103868302
dimethyl 2-(benzylamino)hexanedioate
CID 46910884
(2S)-6-amino-2-(benzylamino)-N-decylhexanamide
CID 134231394
2-[(2-phenylpyrimidin-5-yl)methylamino]hexanoic acid
CID 91671248
1-O-butyl 6-O-iodo 2-(benzylamino)hexanedioate
CID 118508322
2-(benzylamino)-5-methylsulfanylpentanoic acid
CID 103089278
(2S)-2-(benzylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 101104055
2-(benzylcarbamothioylamino)hexanoic acid
CID 44828290

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-2-hydroxy-2-methyloctan-3-one?
The IUPAC name of 4-(benzylamino)-2-hydroxy-2-methyloctan-3-one (CID 14791550) is 4-(benzylamino)-2-hydroxy-2-methyloctan-3-one.
What is the SMILES notation for 4-(benzylamino)-2-hydroxy-2-methyloctan-3-one?
The canonical SMILES for 4-(benzylamino)-2-hydroxy-2-methyloctan-3-one is CCCCC(NCc1ccccc1)C(=O)C(C)(C)O.
What is the InChIKey of 4-(benzylamino)-2-hydroxy-2-methyloctan-3-one?
The InChIKey is INDJUQKCAKEMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-5-11-14(15(18)16(2,3)19)17-12-13-9-7-6-8-10-13/h6-10,14,17,19H,4-5,11-12H2,1-3H3.
What are the key properties of 4-(benzylamino)-2-hydroxy-2-methyloctan-3-one?
4-(benzylamino)-2-hydroxy-2-methyloctan-3-one has a molecular weight of 263.38 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-2-hydroxy-2-methyloctan-3-one is sourced from PubChem (CID 14791550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).