2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide

C14H20ClNO2 — CID 82109404

IUPAC2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide
SMILESCCc1cccc(OCCCN(C)C(=O)CCl)c1
InChIInChI=1S/C14H20ClNO2/c1-3-12-6-4-7-13(10-12)18-9-5-8-16(2)14(17)11-15/h4,6-7,10H,3,5,8-9,11H2,1-2H3
InChIKeyQENOUNPWVXJMFN-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.72
Rot. Bonds7

About 2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide

2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide (PubChem CID 82109404) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide
PubChem CID82109404
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide
SMILESCCc1cccc(OCCCN(C)C(=O)CCl)c1
InChIInChI=1S/C14H20ClNO2/c1-3-12-6-4-7-13(10-12)18-9-5-8-16(2)14(17)11-15/h4,6-7,10H,3,5,8-9,11H2,1-2H3
InChIKeyQENOUNPWVXJMFN-UHFFFAOYSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid
CID 43240334
2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid
CID 121498185
2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide
CID 162420357
2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497
4-(3-ethylphenoxy)butanamide
CID 82040637
3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
2-(3-ethylphenoxy)-N-methylacetohydrazide
CID 116820496
1-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127
2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid
CID 43092155
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide (CID 82109404) is 2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide is CCc1cccc(OCCCN(C)C(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide?
The InChIKey is QENOUNPWVXJMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-12-6-4-7-13(10-12)18-9-5-8-16(2)14(17)11-15/h4,6-7,10H,3,5,8-9,11H2,1-2H3.
What are the key properties of 2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide?
2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide has a molecular weight of 269.77 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide is sourced from PubChem (CID 82109404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).