N-tert-butyl-2-chloro-3-methylbutanamide

C9H18ClNO — CID 60693170

IUPACN-tert-butyl-2-chloro-3-methylbutanamide
SMILESCC(C)C(Cl)C(=O)NC(C)(C)C
InChIInChI=1S/C9H18ClNO/c1-6(2)7(10)8(12)11-9(3,4)5/h6-7H,1-5H3,(H,11,12)
InChIKeyOYGMJIBRCUTBIU-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.16
Rot. Bonds2

About N-tert-butyl-2-chloro-3-methylbutanamide

N-tert-butyl-2-chloro-3-methylbutanamide (PubChem CID 60693170) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-3-methylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-3-methylbutanamide
PubChem CID60693170
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC NameN-tert-butyl-2-chloro-3-methylbutanamide
SMILESCC(C)C(Cl)C(=O)NC(C)(C)C
InChIInChI=1S/C9H18ClNO/c1-6(2)7(10)8(12)11-9(3,4)5/h6-7H,1-5H3,(H,11,12)
InChIKeyOYGMJIBRCUTBIU-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.16
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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-3-methylbutanamide?
The IUPAC name of N-tert-butyl-2-chloro-3-methylbutanamide (CID 60693170) is N-tert-butyl-2-chloro-3-methylbutanamide.
What is the SMILES notation for N-tert-butyl-2-chloro-3-methylbutanamide?
The canonical SMILES for N-tert-butyl-2-chloro-3-methylbutanamide is CC(C)C(Cl)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-chloro-3-methylbutanamide?
The InChIKey is OYGMJIBRCUTBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-6(2)7(10)8(12)11-9(3,4)5/h6-7H,1-5H3,(H,11,12).
What are the key properties of N-tert-butyl-2-chloro-3-methylbutanamide?
N-tert-butyl-2-chloro-3-methylbutanamide has a molecular weight of 191.70 g/mol, XLogP of 2.16, 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-3-methylbutanamide is sourced from PubChem (CID 60693170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).