N-(2-chloro-3-methoxypropyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide

C13H24ClNO3 — CID 103166621

IUPACN-(2-chloro-3-methoxypropyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide
SMILESCCOC1CC(CC(=O)N(C)CC(Cl)COC)C1
InChIInChI=1S/C13H24ClNO3/c1-4-18-12-5-10(6-12)7-13(16)15(2)8-11(14)9-17-3/h10-12H,4-9H2,1-3H3
InChIKeyNRIMCMVGUAVPRU-UHFFFAOYSA-N
MW277.79 g/mol
LogP1.90
Rot. Bonds8

About N-(2-chloro-3-methoxypropyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide

N-(2-chloro-3-methoxypropyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide (PubChem CID 103166621) has the molecular formula C13H24ClNO3 and a molecular weight of 277.79 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide
PubChem CID103166621
Molecular FormulaC13H24ClNO3
Molecular Weight277.79 g/mol
Exact Mass277.14
IUPAC NameN-(2-chloro-3-methoxypropyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide
SMILESCCOC1CC(CC(=O)N(C)CC(Cl)COC)C1
InChIInChI=1S/C13H24ClNO3/c1-4-18-12-5-10(6-12)7-13(16)15(2)8-11(14)9-17-3/h10-12H,4-9H2,1-3H3
InChIKeyNRIMCMVGUAVPRU-UHFFFAOYSA-N
XLogP1.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-2-(3-ethoxycyclobutyl)-N-methylacetamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide (CID 103166621) is N-(2-chloro-3-methoxypropyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide is CCOC1CC(CC(=O)N(C)CC(Cl)COC)C1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide?
The InChIKey is NRIMCMVGUAVPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO3/c1-4-18-12-5-10(6-12)7-13(16)15(2)8-11(14)9-17-3/h10-12H,4-9H2,1-3H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide?
N-(2-chloro-3-methoxypropyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide has a molecular weight of 277.79 g/mol, XLogP of 1.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide is sourced from PubChem (CID 103166621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).