N-(3-chloropropyl)-N-(2,2-dimethylpropyl)-2,2-dimethylpropanamide

C13H26ClNO — CID 88572350

IUPACN-(3-chloropropyl)-N-(2,2-dimethylpropyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)CN(CCCCl)C(=O)C(C)(C)C
InChIInChI=1S/C13H26ClNO/c1-12(2,3)10-15(9-7-8-14)11(16)13(4,5)6/h7-10H2,1-6H3
InChIKeyVAZXLFJDBWIQBD-UHFFFAOYSA-N
MW247.81 g/mol
LogP3.54
Rot. Bonds4

About N-(3-chloropropyl)-N-(2,2-dimethylpropyl)-2,2-dimethylpropanamide

N-(3-chloropropyl)-N-(2,2-dimethylpropyl)-2,2-dimethylpropanamide (PubChem CID 88572350) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-(2,2-dimethylpropyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-(2,2-dimethylpropyl)-2,2-dimethylpropanamide
PubChem CID88572350
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC NameN-(3-chloropropyl)-N-(2,2-dimethylpropyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)CN(CCCCl)C(=O)C(C)(C)C
InChIInChI=1S/C13H26ClNO/c1-12(2,3)10-15(9-7-8-14)11(16)13(4,5)6/h7-10H2,1-6H3
InChIKeyVAZXLFJDBWIQBD-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N,N-dipropylacetamide
CID 219647
3-chloro-N,N-diethylpropanamide
CID 5210698
2-Chloro-n,n-diisobutylacetamide
CID 220784
Propanamide, N,N-dibutyl-3-chloro-
CID 533190
3-(Chloromethyl)-1-ethyl-3-methylazetidin-2-one
CID 137963808
Propanamide, N,N-dibutyl-2-chloro-
CID 533079
Propanamide, N,N-dihexyl-3-chloro-
CID 533192
Chloroacetamide, N-ethyl-N-isobutyl-
CID 43247567
1-Butyl-3-(chloromethyl)-3-methylazetidin-2-one
CID 15179342
3-(Chloromethyl)-3-methyl-1-propyl-2-azetidinone
CID 15179346
3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 62728150
3-chloro-2,2-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 63663816

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-(2,2-dimethylpropyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-chloropropyl)-N-(2,2-dimethylpropyl)-2,2-dimethylpropanamide (CID 88572350) is N-(3-chloropropyl)-N-(2,2-dimethylpropyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-chloropropyl)-N-(2,2-dimethylpropyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-chloropropyl)-N-(2,2-dimethylpropyl)-2,2-dimethylpropanamide is CC(C)(C)CN(CCCCl)C(=O)C(C)(C)C.
What is the InChIKey of N-(3-chloropropyl)-N-(2,2-dimethylpropyl)-2,2-dimethylpropanamide?
The InChIKey is VAZXLFJDBWIQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO/c1-12(2,3)10-15(9-7-8-14)11(16)13(4,5)6/h7-10H2,1-6H3.
What are the key properties of N-(3-chloropropyl)-N-(2,2-dimethylpropyl)-2,2-dimethylpropanamide?
N-(3-chloropropyl)-N-(2,2-dimethylpropyl)-2,2-dimethylpropanamide has a molecular weight of 247.81 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-(2,2-dimethylpropyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 88572350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).