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

C10H20ClNO2 — CID 63397786

IUPACN-(2-chloro-3-methoxypropyl)-N-methylpentanamide
SMILESCCCCC(=O)N(C)CC(Cl)COC
InChIInChI=1S/C10H20ClNO2/c1-4-5-6-10(13)12(2)7-9(11)8-14-3/h9H,4-8H2,1-3H3
InChIKeyQPOZEOKMLHZAJO-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.89
Rot. Bonds7

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

N-(2-chloro-3-methoxypropyl)-N-methylpentanamide (PubChem CID 63397786) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N-methylpentanamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N-methylpentanamide
PubChem CID63397786
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC NameN-(2-chloro-3-methoxypropyl)-N-methylpentanamide
SMILESCCCCC(=O)N(C)CC(Cl)COC
InChIInChI=1S/C10H20ClNO2/c1-4-5-6-10(13)12(2)7-9(11)8-14-3/h9H,4-8H2,1-3H3
InChIKeyQPOZEOKMLHZAJO-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
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-methylpentanamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N-methylpentanamide (CID 63397786) is N-(2-chloro-3-methoxypropyl)-N-methylpentanamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N-methylpentanamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N-methylpentanamide is CCCCC(=O)N(C)CC(Cl)COC.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N-methylpentanamide?
The InChIKey is QPOZEOKMLHZAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-4-5-6-10(13)12(2)7-9(11)8-14-3/h9H,4-8H2,1-3H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N-methylpentanamide?
N-(2-chloro-3-methoxypropyl)-N-methylpentanamide has a molecular weight of 221.73 g/mol, XLogP of 1.89, 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-methylpentanamide is sourced from PubChem (CID 63397786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).