2-(2-chlorophenyl)-2-methoxy-N-methyl-N-pentan-3-ylacetamide

C15H22ClNO2 — CID 155964926

IUPAC2-(2-chlorophenyl)-2-methoxy-N-methyl-N-pentan-3-ylacetamide
SMILESCCC(CC)N(C)C(=O)C(OC)c1ccccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-5-11(6-2)17(3)15(18)14(19-4)12-9-7-8-10-13(12)16/h7-11,14H,5-6H2,1-4H3
InChIKeyROSMAQMNSZLFJF-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.67
Rot. Bonds6

About 2-(2-chlorophenyl)-2-methoxy-N-methyl-N-pentan-3-ylacetamide

2-(2-chlorophenyl)-2-methoxy-N-methyl-N-pentan-3-ylacetamide (PubChem CID 155964926) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-methoxy-N-methyl-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-methoxy-N-methyl-N-pentan-3-ylacetamide
PubChem CID155964926
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-(2-chlorophenyl)-2-methoxy-N-methyl-N-pentan-3-ylacetamide
SMILESCCC(CC)N(C)C(=O)C(OC)c1ccccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-5-11(6-2)17(3)15(18)14(19-4)12-9-7-8-10-13(12)16/h7-11,14H,5-6H2,1-4H3
InChIKeyROSMAQMNSZLFJF-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-1-methoxybutan-2-one
CID 83226542
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate
CID 62978673
2-(2-chlorophenyl)butanoate
CID 22456439
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-sulfanylpropanamide
CID 107029047
(2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 93248514
2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide
CID 54870533
[1-(2-chlorophenyl)-2-methoxybutyl]carbamic acid
CID 175407275
2-amino-2-(2-chlorophenyl)-N,N-dimethylacetamide
CID 83533893
ethyl 2-(2-chlorophenyl)-2-phenoxyacetate
CID 117065643
methyl 2-(2-chlorophenyl)-3-methoxypropanoate
CID 117244467
2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride
CID 88797101

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-methoxy-N-methyl-N-pentan-3-ylacetamide?
The IUPAC name of 2-(2-chlorophenyl)-2-methoxy-N-methyl-N-pentan-3-ylacetamide (CID 155964926) is 2-(2-chlorophenyl)-2-methoxy-N-methyl-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-2-methoxy-N-methyl-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(2-chlorophenyl)-2-methoxy-N-methyl-N-pentan-3-ylacetamide is CCC(CC)N(C)C(=O)C(OC)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-methoxy-N-methyl-N-pentan-3-ylacetamide?
The InChIKey is ROSMAQMNSZLFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-5-11(6-2)17(3)15(18)14(19-4)12-9-7-8-10-13(12)16/h7-11,14H,5-6H2,1-4H3.
What are the key properties of 2-(2-chlorophenyl)-2-methoxy-N-methyl-N-pentan-3-ylacetamide?
2-(2-chlorophenyl)-2-methoxy-N-methyl-N-pentan-3-ylacetamide has a molecular weight of 283.80 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-methoxy-N-methyl-N-pentan-3-ylacetamide is sourced from PubChem (CID 155964926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).