3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide

C11H22ClNO — CID 63966651

IUPAC3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)N(C)C(=O)C(C)(C)CCl
InChIInChI=1S/C11H22ClNO/c1-7-11(4,5)13(6)9(14)10(2,3)8-12/h7-8H2,1-6H3
InChIKeyKJFMDNRKNVUYIX-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.90
Rot. Bonds4

About 3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide

3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide (PubChem CID 63966651) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide
PubChem CID63966651
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)N(C)C(=O)C(C)(C)CCl
InChIInChI=1S/C11H22ClNO/c1-7-11(4,5)13(6)9(14)10(2,3)8-12/h7-8H2,1-6H3
InChIKeyKJFMDNRKNVUYIX-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide (CID 63966651) is 3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)N(C)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is KJFMDNRKNVUYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-7-11(4,5)13(6)9(14)10(2,3)8-12/h7-8H2,1-6H3.
What are the key properties of 3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide?
3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 219.76 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 63966651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).