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

C14H26ClNO2 — CID 65020722

IUPACN-(2-chloro-3-methoxypropyl)-N-methylcyclooctanecarboxamide
SMILESCOCC(Cl)CN(C)C(=O)C1CCCCCCC1
InChIInChI=1S/C14H26ClNO2/c1-16(10-13(15)11-18-2)14(17)12-8-6-4-3-5-7-9-12/h12-13H,3-11H2,1-2H3
InChIKeyOWQCIDKXUGHSLX-UHFFFAOYSA-N
MW275.82 g/mol
LogP3.06
Rot. Bonds5

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

N-(2-chloro-3-methoxypropyl)-N-methylcyclooctanecarboxamide (PubChem CID 65020722) has the molecular formula C14H26ClNO2 and a molecular weight of 275.82 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N-methylcyclooctanecarboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N-methylcyclooctanecarboxamide
PubChem CID65020722
Molecular FormulaC14H26ClNO2
Molecular Weight275.82 g/mol
Exact Mass275.17
IUPAC NameN-(2-chloro-3-methoxypropyl)-N-methylcyclooctanecarboxamide
SMILESCOCC(Cl)CN(C)C(=O)C1CCCCCCC1
InChIInChI=1S/C14H26ClNO2/c1-16(10-13(15)11-18-2)14(17)12-8-6-4-3-5-7-9-12/h12-13H,3-11H2,1-2H3
InChIKeyOWQCIDKXUGHSLX-UHFFFAOYSA-N
XLogP3.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 53.06
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-(2-chloro-3-methoxypropyl)-N-methylcyclopentanecarboxamide
CID 63397916
N-(2-chloro-3-methoxypropyl)-N-methyl-1,1-dioxothiane-2-carboxamide
CID 104522258
N-(2-chloropropyl)-N-methylcycloheptanecarboxamide
CID 63393755
N-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide
CID 80671637
N-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide
CID 63753647
1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide
CID 54993733
3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide
CID 62777041
N-(2-amino-3-methoxypropyl)-N-methyloxane-4-carboxamide
CID 63754571
N-(1-methoxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 60794013
N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide
CID 114299025
N-[2-(dimethylamino)ethyl]-N-methylcyclohexanecarboxamide
CID 110482195
N-(2-chloro-3-methoxypropyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide
CID 103166621

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-N-methylcyclooctanecarboxamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N-methylcyclooctanecarboxamide (CID 65020722) is N-(2-chloro-3-methoxypropyl)-N-methylcyclooctanecarboxamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N-methylcyclooctanecarboxamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N-methylcyclooctanecarboxamide is COCC(Cl)CN(C)C(=O)C1CCCCCCC1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N-methylcyclooctanecarboxamide?
The InChIKey is OWQCIDKXUGHSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO2/c1-16(10-13(15)11-18-2)14(17)12-8-6-4-3-5-7-9-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N-methylcyclooctanecarboxamide?
N-(2-chloro-3-methoxypropyl)-N-methylcyclooctanecarboxamide has a molecular weight of 275.82 g/mol, XLogP of 3.06, 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-methylcyclooctanecarboxamide is sourced from PubChem (CID 65020722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).