2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide

C10H20ClNO — CID 60948231

IUPAC2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide
SMILESCC(Cl)C(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C10H20ClNO/c1-7(11)9(13)12(6)8(2)10(3,4)5/h7-8H,1-6H3
InChIKeyCXLOKGBOMCAFQP-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.51
Rot. Bonds2

About 2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide

2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide (PubChem CID 60948231) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide
PubChem CID60948231
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide
SMILESCC(Cl)C(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C10H20ClNO/c1-7(11)9(13)12(6)8(2)10(3,4)5/h7-8H,1-6H3
InChIKeyCXLOKGBOMCAFQP-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.51
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

N-(3,3-dimethylbutan-2-yl)-N-methylcarbamoyl chloride
CID 79887073
2-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116536977
1-(3,3-dimethylbutan-2-yl)-1,3-dimethylurea
CID 115578826
2-amino-N-(3,3-dimethylbutan-2-yl)-3-methoxy-N-methylpropanamide
CID 81082584
N-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide
CID 79200204
2-chloro-N-(1-cyanopropan-2-yl)-N-methylpropanamide
CID 63224261
(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide
CID 78985588
N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide
CID 104938816
(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide
CID 93317901
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801986
1-[(2S)-3,3-dimethylbutan-2-yl]-1-methyl-3-prop-2-enylurea
CID 95351070
4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 60939876

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide?
The IUPAC name of 2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide (CID 60948231) is 2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide.
What is the SMILES notation for 2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide?
The canonical SMILES for 2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide is CC(Cl)C(=O)N(C)C(C)C(C)(C)C.
What is the InChIKey of 2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide?
The InChIKey is CXLOKGBOMCAFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-7(11)9(13)12(6)8(2)10(3,4)5/h7-8H,1-6H3.
What are the key properties of 2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide?
2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide has a molecular weight of 205.73 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 60948231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).