N-butyl-N-(2-chloroethyl)-2-ethoxyacetamide

C10H20ClNO2 — CID 63391075

IUPACN-butyl-N-(2-chloroethyl)-2-ethoxyacetamide
SMILESCCCCN(CCCl)C(=O)COCC
InChIInChI=1S/C10H20ClNO2/c1-3-5-7-12(8-6-11)10(13)9-14-4-2/h3-9H2,1-2H3
InChIKeyAZIZSZLVNLLIFW-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.89
Rot. Bonds8

About N-butyl-N-(2-chloroethyl)-2-ethoxyacetamide

N-butyl-N-(2-chloroethyl)-2-ethoxyacetamide (PubChem CID 63391075) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is N-butyl-N-(2-chloroethyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-butyl-N-(2-chloroethyl)-2-ethoxyacetamide
PubChem CID63391075
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC NameN-butyl-N-(2-chloroethyl)-2-ethoxyacetamide
SMILESCCCCN(CCCl)C(=O)COCC
InChIInChI=1S/C10H20ClNO2/c1-3-5-7-12(8-6-11)10(13)9-14-4-2/h3-9H2,1-2H3
InChIKeyAZIZSZLVNLLIFW-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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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Related Compounds

N-butyl-N-(2-chloroethyl)propanamide
CID 63390792
2-ethoxy-N-hexadecyl-N-tetradecylacetamide
CID 170646131
N-butyl-2-ethoxy-N-ethylacetamide
CID 4277867
N,N-dibutyl-2-propoxyacetamide
CID 48656867
2-[2-(dipentylamino)-2-oxoethoxy]-N,N-dipentylacetamide
CID 102105691
N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
CID 71346769
2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
CID 71406470
N-butyl-N-(2-chloroethyl)-3-methylbutanamide
CID 63390877
N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212161
N,N-dibutyl-2-[2-[ethyl(methyl)amino]ethoxy]acetamide
CID 175987173
2-[2-(dimethylamino)ethoxy]-N,N-dipentylacetamide
CID 175987160
tert-butyl N-butyl-N-(2-chloroethyl)carbamate
CID 114293365

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-chloroethyl)-2-ethoxyacetamide?
The IUPAC name of N-butyl-N-(2-chloroethyl)-2-ethoxyacetamide (CID 63391075) is N-butyl-N-(2-chloroethyl)-2-ethoxyacetamide.
What is the SMILES notation for N-butyl-N-(2-chloroethyl)-2-ethoxyacetamide?
The canonical SMILES for N-butyl-N-(2-chloroethyl)-2-ethoxyacetamide is CCCCN(CCCl)C(=O)COCC.
What is the InChIKey of N-butyl-N-(2-chloroethyl)-2-ethoxyacetamide?
The InChIKey is AZIZSZLVNLLIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-3-5-7-12(8-6-11)10(13)9-14-4-2/h3-9H2,1-2H3.
What are the key properties of N-butyl-N-(2-chloroethyl)-2-ethoxyacetamide?
N-butyl-N-(2-chloroethyl)-2-ethoxyacetamide has a molecular weight of 221.73 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-chloroethyl)-2-ethoxyacetamide is sourced from PubChem (CID 63391075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).