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

C10H18ClNO2 — CID 63397782

IUPACN-(2-chloro-3-methoxypropyl)-2-cyclopropyl-N-methylacetamide
SMILESCOCC(Cl)CN(C)C(=O)CC1CC1
InChIInChI=1S/C10H18ClNO2/c1-12(6-9(11)7-14-2)10(13)5-8-3-4-8/h8-9H,3-7H2,1-2H3
InChIKeyWKQLJCOWYHPLHG-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.50
Rot. Bonds6

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

N-(2-chloro-3-methoxypropyl)-2-cyclopropyl-N-methylacetamide (PubChem CID 63397782) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-2-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-2-cyclopropyl-N-methylacetamide
PubChem CID63397782
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC NameN-(2-chloro-3-methoxypropyl)-2-cyclopropyl-N-methylacetamide
SMILESCOCC(Cl)CN(C)C(=O)CC1CC1
InChIInChI=1S/C10H18ClNO2/c1-12(6-9(11)7-14-2)10(13)5-8-3-4-8/h8-9H,3-7H2,1-2H3
InChIKeyWKQLJCOWYHPLHG-UHFFFAOYSA-N
XLogP1.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.50
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)-2-cyclopropyl-N-methylacetamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-2-cyclopropyl-N-methylacetamide (CID 63397782) is N-(2-chloro-3-methoxypropyl)-2-cyclopropyl-N-methylacetamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-2-cyclopropyl-N-methylacetamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-2-cyclopropyl-N-methylacetamide is COCC(Cl)CN(C)C(=O)CC1CC1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-2-cyclopropyl-N-methylacetamide?
The InChIKey is WKQLJCOWYHPLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-12(6-9(11)7-14-2)10(13)5-8-3-4-8/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-2-cyclopropyl-N-methylacetamide?
N-(2-chloro-3-methoxypropyl)-2-cyclopropyl-N-methylacetamide has a molecular weight of 219.71 g/mol, XLogP of 1.50, 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)-2-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 63397782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).