3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide

C9H18ClNO2 — CID 106145976

IUPAC3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
SMILESCC(C)(CCO)CNC(=O)CCCl
InChIInChI=1S/C9H18ClNO2/c1-9(2,4-6-12)7-11-8(13)3-5-10/h12H,3-7H2,1-2H3,(H,11,13)
InChIKeyZRWJKSHDBVLABF-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.14
Rot. Bonds6

About 3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide

3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide (PubChem CID 106145976) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
PubChem CID106145976
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
SMILESCC(C)(CCO)CNC(=O)CCCl
InChIInChI=1S/C9H18ClNO2/c1-9(2,4-6-12)7-11-8(13)3-5-10/h12H,3-7H2,1-2H3,(H,11,13)
InChIKeyZRWJKSHDBVLABF-UHFFFAOYSA-N
XLogP1.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide
CID 4135025
N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide
CID 154969198
5-amino-N-(4-hydroxy-2,2-dimethylbutyl)pentanamide
CID 106147943
N-(4-chloro-2,2-dimethylbutyl)-4,4,4-trifluorobutanamide
CID 106143278
2-(tert-butylamino)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103825116
6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide
CID 103772963
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 106142171
N-(4-hydroxy-2,2-dimethylbutyl)-3-piperidin-4-ylpropanamide
CID 114150053
3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103772275
3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106146044
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113278483

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The IUPAC name of 3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide (CID 106145976) is 3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide.
What is the SMILES notation for 3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The canonical SMILES for 3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide is CC(C)(CCO)CNC(=O)CCCl.
What is the InChIKey of 3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The InChIKey is ZRWJKSHDBVLABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-9(2,4-6-12)7-11-8(13)3-5-10/h12H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide has a molecular weight of 207.70 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide is sourced from PubChem (CID 106145976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).