3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide

C12H24ClNO — CID 83141302

IUPAC3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide
SMILESCC(CNC(=O)C(C)(C)CCl)C(C)(C)C
InChIInChI=1S/C12H24ClNO/c1-9(11(2,3)4)7-14-10(15)12(5,6)8-13/h9H,7-8H2,1-6H3,(H,14,15)
InChIKeyLQBZWCHQCHFTRZ-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.05
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide

3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide (PubChem CID 83141302) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide
PubChem CID83141302
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide
SMILESCC(CNC(=O)C(C)(C)CCl)C(C)(C)C
InChIInChI=1S/C12H24ClNO/c1-9(11(2,3)4)7-14-10(15)12(5,6)8-13/h9H,7-8H2,1-6H3,(H,14,15)
InChIKeyLQBZWCHQCHFTRZ-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
CID 66092248
3-amino-2,2,3-trimethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142759
N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83143832
4-chloro-N-(2,3,3-trimethylbutyl)butanamide
CID 83142123
3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide
CID 83144311
2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
CID 83143356
3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide
CID 82108659
1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea
CID 115629659
3-chloro-2,2-dimethyl-N-prop-2-ynylpropanamide
CID 63679765
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
CID 79249535
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide (CID 83141302) is 3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide is CC(CNC(=O)C(C)(C)CCl)C(C)(C)C.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide?
The InChIKey is LQBZWCHQCHFTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-9(11(2,3)4)7-14-10(15)12(5,6)8-13/h9H,7-8H2,1-6H3,(H,14,15).
What are the key properties of 3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide?
3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide has a molecular weight of 233.78 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide is sourced from PubChem (CID 83141302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).