6-chloro-5-hydroxy-3-oxo-N,N-di(propan-2-yl)hexanamide

C12H22ClNO3 — CID 86639762

IUPAC6-chloro-5-hydroxy-3-oxo-N,N-di(propan-2-yl)hexanamide
SMILESCC(C)N(C(=O)CC(=O)CC(O)CCl)C(C)C
InChIInChI=1S/C12H22ClNO3/c1-8(2)14(9(3)4)12(17)6-10(15)5-11(16)7-13/h8-9,11,16H,5-7H2,1-4H3
InChIKeyDGXXOJQNHRVDEE-UHFFFAOYSA-N
MW263.76 g/mol
LogP1.58
Rot. Bonds7

About 6-chloro-5-hydroxy-3-oxo-N,N-di(propan-2-yl)hexanamide

6-chloro-5-hydroxy-3-oxo-N,N-di(propan-2-yl)hexanamide (PubChem CID 86639762) has the molecular formula C12H22ClNO3 and a molecular weight of 263.76 g/mol. Its IUPAC name is 6-chloro-5-hydroxy-3-oxo-N,N-di(propan-2-yl)hexanamide.

Molecular Properties

Compound Name6-chloro-5-hydroxy-3-oxo-N,N-di(propan-2-yl)hexanamide
PubChem CID86639762
Molecular FormulaC12H22ClNO3
Molecular Weight263.76 g/mol
Exact Mass263.13
IUPAC Name6-chloro-5-hydroxy-3-oxo-N,N-di(propan-2-yl)hexanamide
SMILESCC(C)N(C(=O)CC(=O)CC(O)CCl)C(C)C
InChIInChI=1S/C12H22ClNO3/c1-8(2)14(9(3)4)12(17)6-10(15)5-11(16)7-13/h8-9,11,16H,5-7H2,1-4H3
InChIKeyDGXXOJQNHRVDEE-UHFFFAOYSA-N
XLogP1.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.76
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R,5S)-3,5,6-trihydroxy-N,N-di(propan-2-yl)hexanamide
CID 89227447
ethyl 4-chloro-3-hydroxybutanoate;ethyl 4-chloro-3-oxobutanoate
CID 87378301
3-[di(propan-2-yl)amino]-3-oxopropanoic acid;N,N-di(propan-2-yl)propanamide
CID 158012877
4-chloro-3-hydroxybutanehydrazide
CID 18471707
ethyl 4-chloro-3-hydroxybutanoate;ethyl 4-chloro-3-oxobutanoate;molecular hydrogen
CID 158831463
2-(dimethylamino)-N,N-di(propan-2-yl)acetamide
CID 15050138
1-chloro-3-[cyclopropylmethyl(propan-2-yl)amino]propan-2-ol
CID 112561477
1-amino-3-chloropropan-2-ol;methanesulfonic acid
CID 87816354
(2R,10R)-2,4,8,10-tetrahydroxyundecan-6-one
CID 10609736
3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60988088
(2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol
CID 12624614
2-chloro-N-methyl-N-propan-2-ylacetamide
CID 8899730

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-hydroxy-3-oxo-N,N-di(propan-2-yl)hexanamide?
The IUPAC name of 6-chloro-5-hydroxy-3-oxo-N,N-di(propan-2-yl)hexanamide (CID 86639762) is 6-chloro-5-hydroxy-3-oxo-N,N-di(propan-2-yl)hexanamide.
What is the SMILES notation for 6-chloro-5-hydroxy-3-oxo-N,N-di(propan-2-yl)hexanamide?
The canonical SMILES for 6-chloro-5-hydroxy-3-oxo-N,N-di(propan-2-yl)hexanamide is CC(C)N(C(=O)CC(=O)CC(O)CCl)C(C)C.
What is the InChIKey of 6-chloro-5-hydroxy-3-oxo-N,N-di(propan-2-yl)hexanamide?
The InChIKey is DGXXOJQNHRVDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO3/c1-8(2)14(9(3)4)12(17)6-10(15)5-11(16)7-13/h8-9,11,16H,5-7H2,1-4H3.
What are the key properties of 6-chloro-5-hydroxy-3-oxo-N,N-di(propan-2-yl)hexanamide?
6-chloro-5-hydroxy-3-oxo-N,N-di(propan-2-yl)hexanamide has a molecular weight of 263.76 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-hydroxy-3-oxo-N,N-di(propan-2-yl)hexanamide is sourced from PubChem (CID 86639762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).