N-(2-chloro-3-methoxypropyl)-N-methylcyclopentanecarboxamide

C11H20ClNO2 — CID 63397916

IUPACN-(2-chloro-3-methoxypropyl)-N-methylcyclopentanecarboxamide
SMILESCOCC(Cl)CN(C)C(=O)C1CCCC1
InChIInChI=1S/C11H20ClNO2/c1-13(7-10(12)8-15-2)11(14)9-5-3-4-6-9/h9-10H,3-8H2,1-2H3
InChIKeyMTUVNYZEPAUPOX-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.89
Rot. Bonds5

About N-(2-chloro-3-methoxypropyl)-N-methylcyclopentanecarboxamide

N-(2-chloro-3-methoxypropyl)-N-methylcyclopentanecarboxamide (PubChem CID 63397916) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N-methylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N-methylcyclopentanecarboxamide
PubChem CID63397916
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC NameN-(2-chloro-3-methoxypropyl)-N-methylcyclopentanecarboxamide
SMILESCOCC(Cl)CN(C)C(=O)C1CCCC1
InChIInChI=1S/C11H20ClNO2/c1-13(7-10(12)8-15-2)11(14)9-5-3-4-6-9/h9-10H,3-8H2,1-2H3
InChIKeyMTUVNYZEPAUPOX-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.89
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-methylcyclopentanecarboxamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N-methylcyclopentanecarboxamide (CID 63397916) is N-(2-chloro-3-methoxypropyl)-N-methylcyclopentanecarboxamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N-methylcyclopentanecarboxamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N-methylcyclopentanecarboxamide is COCC(Cl)CN(C)C(=O)C1CCCC1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N-methylcyclopentanecarboxamide?
The InChIKey is MTUVNYZEPAUPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-13(7-10(12)8-15-2)11(14)9-5-3-4-6-9/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N-methylcyclopentanecarboxamide?
N-(2-chloro-3-methoxypropyl)-N-methylcyclopentanecarboxamide has a molecular weight of 233.74 g/mol, XLogP of 1.89, 5 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-methylcyclopentanecarboxamide is sourced from PubChem (CID 63397916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).