2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide

C14H20ClNO3 — CID 61251247

IUPAC2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
SMILESCOCCOCCCNC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C14H20ClNO3/c1-18-10-11-19-9-5-8-16-14(17)13(15)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,16,17)
InChIKeyQAKDGJAIXBEQBT-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.14
Rot. Bonds9

About 2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide

2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide (PubChem CID 61251247) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
PubChem CID61251247
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
SMILESCOCCOCCCNC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C14H20ClNO3/c1-18-10-11-19-9-5-8-16-14(17)13(15)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,16,17)
InChIKeyQAKDGJAIXBEQBT-UHFFFAOYSA-N
XLogP2.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.14
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

(2R)-2-amino-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61275798
3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide
CID 115649428
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
3-amino-N-[3-(2-methoxyethoxy)propyl]-3-phenylpropanamide
CID 61275597
2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
CID 61251530
2-[3-(2-methoxyethoxy)propylamino]-1-phenylethanol
CID 103603620
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide
CID 82110533
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
2-chloro-N-(2-cyclopentyloxyethyl)-2-phenylacetamide
CID 63826472
N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide
CID 106308008
(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide
CID 103796209

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide (CID 61251247) is 2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide is COCCOCCCNC(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide?
The InChIKey is QAKDGJAIXBEQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-18-10-11-19-9-5-8-16-14(17)13(15)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide?
2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide has a molecular weight of 285.77 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide is sourced from PubChem (CID 61251247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).