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

C11H22ClNO2 — CID 114876844

IUPACN-(2-chloro-3-methoxypropyl)-N,3-dimethylpentanamide
SMILESCCC(C)CC(=O)N(C)CC(Cl)COC
InChIInChI=1S/C11H22ClNO2/c1-5-9(2)6-11(14)13(3)7-10(12)8-15-4/h9-10H,5-8H2,1-4H3
InChIKeyLFDXWKLPGQEUNY-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.13
Rot. Bonds7

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

N-(2-chloro-3-methoxypropyl)-N,3-dimethylpentanamide (PubChem CID 114876844) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N,3-dimethylpentanamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N,3-dimethylpentanamide
PubChem CID114876844
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC NameN-(2-chloro-3-methoxypropyl)-N,3-dimethylpentanamide
SMILESCCC(C)CC(=O)N(C)CC(Cl)COC
InChIInChI=1S/C11H22ClNO2/c1-5-9(2)6-11(14)13(3)7-10(12)8-15-4/h9-10H,5-8H2,1-4H3
InChIKeyLFDXWKLPGQEUNY-UHFFFAOYSA-N
XLogP2.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

N-(3-methoxy-2-methylpropyl)-3-methyl-N-propylpentanamide
CID 144384935
5-chloro-N-(3-methoxypropyl)-N-methylpentanamide
CID 63008197
N-(2-chloro-3-methoxypropyl)-2-cyclopropyl-N-methylacetamide
CID 63397782
N-(2-chloro-3-methoxypropyl)-N-methylpentanamide
CID 63397786
N-(2-chloro-3-methoxypropyl)-N-methylbutanamide
CID 63397825
N-(2-chloro-3-methoxypropyl)-N-methylcycloheptanecarboxamide
CID 63397860
N-(2-chloro-3-methoxypropyl)-N,2,2-trimethylbutanamide
CID 63397908
N-(2-chloro-3-methoxypropyl)-N-methylcyclopropanecarboxamide
CID 63397911
N-(2-chloro-3-methoxypropyl)-N-methylcyclobutanecarboxamide
CID 63397915
N-(2-chloro-3-methoxypropyl)-N-methylcyclopentanecarboxamide
CID 63397916
N-(2-chloro-3-methoxypropyl)-N,3-dimethylbutanamide
CID 63397957
N-(2-chloro-3-methoxypropyl)-N-methylcyclohexanecarboxamide
CID 63397958

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-N,3-dimethylpentanamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N,3-dimethylpentanamide (CID 114876844) is N-(2-chloro-3-methoxypropyl)-N,3-dimethylpentanamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N,3-dimethylpentanamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N,3-dimethylpentanamide is CCC(C)CC(=O)N(C)CC(Cl)COC.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N,3-dimethylpentanamide?
The InChIKey is LFDXWKLPGQEUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2/c1-5-9(2)6-11(14)13(3)7-10(12)8-15-4/h9-10H,5-8H2,1-4H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N,3-dimethylpentanamide?
N-(2-chloro-3-methoxypropyl)-N,3-dimethylpentanamide has a molecular weight of 235.75 g/mol, XLogP of 2.13, 7 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,3-dimethylpentanamide is sourced from PubChem (CID 114876844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).