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

C16H24ClNO3 — CID 173163704

IUPAC3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-methylpropanamide
SMILESCCOC(CN(C)C(=O)CCc1ccc(Cl)cc1)OCC
InChIInChI=1S/C16H24ClNO3/c1-4-20-16(21-5-2)12-18(3)15(19)11-8-13-6-9-14(17)10-7-13/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3
InChIKeyLXLVUVAVXDDCID-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.13
Rot. Bonds9

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

3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-methylpropanamide (PubChem CID 173163704) has the molecular formula C16H24ClNO3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-methylpropanamide
PubChem CID173163704
Molecular FormulaC16H24ClNO3
Molecular Weight313.83 g/mol
Exact Mass313.14
IUPAC Name3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-methylpropanamide
SMILESCCOC(CN(C)C(=O)CCc1ccc(Cl)cc1)OCC
InChIInChI=1S/C16H24ClNO3/c1-4-20-16(21-5-2)12-18(3)15(19)11-8-13-6-9-14(17)10-7-13/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3
InChIKeyLXLVUVAVXDDCID-UHFFFAOYSA-N
XLogP3.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.13
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
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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-methylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-methylpropanamide (CID 173163704) is 3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-methylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-methylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-methylpropanamide is CCOC(CN(C)C(=O)CCc1ccc(Cl)cc1)OCC.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-methylpropanamide?
The InChIKey is LXLVUVAVXDDCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-4-20-16(21-5-2)12-18(3)15(19)11-8-13-6-9-14(17)10-7-13/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-methylpropanamide?
3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-methylpropanamide has a molecular weight of 313.83 g/mol, XLogP of 3.13, 9 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-methylpropanamide is sourced from PubChem (CID 173163704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).