3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide

C9H18ClNO3 — CID 62726665

IUPAC3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide
SMILESCOCCOCCNC(=O)C(C)CCl
InChIInChI=1S/C9H18ClNO3/c1-8(7-10)9(12)11-3-4-14-6-5-13-2/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyHMXFJZSVUWOQPX-UHFFFAOYSA-N
MW223.70 g/mol
LogP0.64
Rot. Bonds8

About 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide

3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide (PubChem CID 62726665) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide
PubChem CID62726665
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Name3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide
SMILESCOCCOCCNC(=O)C(C)CCl
InChIInChI=1S/C9H18ClNO3/c1-8(7-10)9(12)11-3-4-14-6-5-13-2/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyHMXFJZSVUWOQPX-UHFFFAOYSA-N
XLogP0.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide
CID 79023015
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea
CID 176960300
2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 163401188
2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 176577667
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentanamide
CID 104903353
N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide
CID 114297620
2-methyl-N-(2-pentoxyethyl)butanamide
CID 170952196
3-[2-[2-[2-[2-[2-[2-[[(2S)-5-methoxy-2-methyl-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170596914
3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide
CID 62726850

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide?
The IUPAC name of 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide (CID 62726665) is 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide is COCCOCCNC(=O)C(C)CCl.
What is the InChIKey of 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide?
The InChIKey is HMXFJZSVUWOQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3/c1-8(7-10)9(12)11-3-4-14-6-5-13-2/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide?
3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide has a molecular weight of 223.70 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide is sourced from PubChem (CID 62726665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).