3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide

C10H20ClNO2 — CID 66092248

IUPAC3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
SMILESCC(CCO)CNC(=O)C(C)(C)CCl
InChIInChI=1S/C10H20ClNO2/c1-8(4-5-13)6-12-9(14)10(2,3)7-11/h8,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyLHQQYNZETMAXFZ-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.39
Rot. Bonds6

About 3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide

3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide (PubChem CID 66092248) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
PubChem CID66092248
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
SMILESCC(CCO)CNC(=O)C(C)(C)CCl
InChIInChI=1S/C10H20ClNO2/c1-8(4-5-13)6-12-9(14)10(2,3)7-11/h8,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyLHQQYNZETMAXFZ-UHFFFAOYSA-N
XLogP1.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.39
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-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide
CID 83141302
2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089686
N-(4-hydroxy-2-methylbutyl)-3,3-dimethylbutanamide
CID 66106193
2-amino-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089038
methyl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66107566
2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide
CID 107905413
5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid
CID 82688450
3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106033672
N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide
CID 114313422
propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66106917
3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide
CID 82108659
3-chloro-2,2-dimethyl-N-prop-2-ynylpropanamide
CID 63679765

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide (CID 66092248) is 3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide is CC(CCO)CNC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide?
The InChIKey is LHQQYNZETMAXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-8(4-5-13)6-12-9(14)10(2,3)7-11/h8,13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide?
3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide has a molecular weight of 221.73 g/mol, XLogP of 1.39, 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-methylbutyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 66092248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).