3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide

C17H26ClNO3 — CID 173163673

IUPAC3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide
SMILESCCOC(CN(CC)C(=O)CCc1ccc(Cl)cc1)OCC
InChIInChI=1S/C17H26ClNO3/c1-4-19(13-17(21-5-2)22-6-3)16(20)12-9-14-7-10-15(18)11-8-14/h7-8,10-11,17H,4-6,9,12-13H2,1-3H3
InChIKeyXRWBLSIVGGCEIL-UHFFFAOYSA-N
MW327.85 g/mol
LogP3.52
Rot. Bonds10

About 3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide

3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide (PubChem CID 173163673) has the molecular formula C17H26ClNO3 and a molecular weight of 327.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide
PubChem CID173163673
Molecular FormulaC17H26ClNO3
Molecular Weight327.85 g/mol
Exact Mass327.16
IUPAC Name3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide
SMILESCCOC(CN(CC)C(=O)CCc1ccc(Cl)cc1)OCC
InChIInChI=1S/C17H26ClNO3/c1-4-19(13-17(21-5-2)22-6-3)16(20)12-9-14-7-10-15(18)11-8-14/h7-8,10-11,17H,4-6,9,12-13H2,1-3H3
InChIKeyXRWBLSIVGGCEIL-UHFFFAOYSA-N
XLogP3.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 1124089
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CID 54678152
3-[6-(4-Chlorophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141218
3-(4-chlorophenyl)-N,N-diethylpropanamide
CID 340024
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4-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)-2-oxobutanamide
CID 156010108
4-(4-Chlorophenyl)-1-morpholin-4-ylbutane-1,2-dione
CID 156021943
2-(4-Chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 2904845
4-[3-(4-Chlorophenyl)-3-phenylpropanoyl]morpholine
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N-(2,2-dimethoxyethyl)-N-methyl-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide (CID 173163673) is 3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide is CCOC(CN(CC)C(=O)CCc1ccc(Cl)cc1)OCC.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide?
The InChIKey is XRWBLSIVGGCEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO3/c1-4-19(13-17(21-5-2)22-6-3)16(20)12-9-14-7-10-15(18)11-8-14/h7-8,10-11,17H,4-6,9,12-13H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide?
3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide has a molecular weight of 327.85 g/mol, XLogP of 3.52, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide is sourced from PubChem (CID 173163673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).