N-tert-butyl-2-chloro-4,4-dimethylpentanamide

C11H22ClNO — CID 62966362

IUPACN-tert-butyl-2-chloro-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(Cl)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22ClNO/c1-10(2,3)7-8(12)9(14)13-11(4,5)6/h8H,7H2,1-6H3,(H,13,14)
InChIKeyQNLITHGBTSHDCU-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.94
Rot. Bonds2

About N-tert-butyl-2-chloro-4,4-dimethylpentanamide

N-tert-butyl-2-chloro-4,4-dimethylpentanamide (PubChem CID 62966362) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-4,4-dimethylpentanamide
PubChem CID62966362
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC NameN-tert-butyl-2-chloro-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(Cl)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22ClNO/c1-10(2,3)7-8(12)9(14)13-11(4,5)6/h8H,7H2,1-6H3,(H,13,14)
InChIKeyQNLITHGBTSHDCU-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
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 N-tert-butyl-2-chloro-4,4-dimethylpentanamide?
The IUPAC name of N-tert-butyl-2-chloro-4,4-dimethylpentanamide (CID 62966362) is N-tert-butyl-2-chloro-4,4-dimethylpentanamide.
What is the SMILES notation for N-tert-butyl-2-chloro-4,4-dimethylpentanamide?
The canonical SMILES for N-tert-butyl-2-chloro-4,4-dimethylpentanamide is CC(C)(C)CC(Cl)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-chloro-4,4-dimethylpentanamide?
The InChIKey is QNLITHGBTSHDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-10(2,3)7-8(12)9(14)13-11(4,5)6/h8H,7H2,1-6H3,(H,13,14).
What are the key properties of N-tert-butyl-2-chloro-4,4-dimethylpentanamide?
N-tert-butyl-2-chloro-4,4-dimethylpentanamide has a molecular weight of 219.76 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-4,4-dimethylpentanamide is sourced from PubChem (CID 62966362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).