N-(2-chloro-3-methoxypropyl)-N,2,2-trimethylbutanamide

C11H22ClNO2 — CID 63397908

IUPACN-(2-chloro-3-methoxypropyl)-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)CC(Cl)COC
InChIInChI=1S/C11H22ClNO2/c1-6-11(2,3)10(14)13(4)7-9(12)8-15-5/h9H,6-8H2,1-5H3
InChIKeySFTMZNBPXHIGQS-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.13
Rot. Bonds6

About N-(2-chloro-3-methoxypropyl)-N,2,2-trimethylbutanamide

N-(2-chloro-3-methoxypropyl)-N,2,2-trimethylbutanamide (PubChem CID 63397908) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N,2,2-trimethylbutanamide
PubChem CID63397908
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC NameN-(2-chloro-3-methoxypropyl)-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)CC(Cl)COC
InChIInChI=1S/C11H22ClNO2/c1-6-11(2,3)10(14)13(4)7-9(12)8-15-5/h9H,6-8H2,1-5H3
InChIKeySFTMZNBPXHIGQS-UHFFFAOYSA-N
XLogP2.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-chloro-3-methoxypropyl)-N,2,2-trimethylbutanamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N,2,2-trimethylbutanamide (CID 63397908) is N-(2-chloro-3-methoxypropyl)-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N,2,2-trimethylbutanamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)CC(Cl)COC.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N,2,2-trimethylbutanamide?
The InChIKey is SFTMZNBPXHIGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2/c1-6-11(2,3)10(14)13(4)7-9(12)8-15-5/h9H,6-8H2,1-5H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N,2,2-trimethylbutanamide?
N-(2-chloro-3-methoxypropyl)-N,2,2-trimethylbutanamide has a molecular weight of 235.75 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-N,2,2-trimethylbutanamide is sourced from PubChem (CID 63397908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).