1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone

C15H20ClNO3 — CID 61452098

IUPAC1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone
SMILESCOCCN(CC(=O)c1ccc(OC)c(Cl)c1)C1CC1
InChIInChI=1S/C15H20ClNO3/c1-19-8-7-17(12-4-5-12)10-14(18)11-3-6-15(20-2)13(16)9-11/h3,6,9,12H,4-5,7-8,10H2,1-2H3
InChIKeyVNBIGAIVNBIYHO-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.64
Rot. Bonds8

About 1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone

1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone (PubChem CID 61452098) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone
PubChem CID61452098
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone
SMILESCOCCN(CC(=O)c1ccc(OC)c(Cl)c1)C1CC1
InChIInChI=1S/C15H20ClNO3/c1-19-8-7-17(12-4-5-12)10-14(18)11-3-6-15(20-2)13(16)9-11/h3,6,9,12H,4-5,7-8,10H2,1-2H3
InChIKeyVNBIGAIVNBIYHO-UHFFFAOYSA-N
XLogP2.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone
CID 61451944
1-(3-bromo-4-methoxyphenyl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
CID 62030716
2-[bis(2-hydroxyethyl)amino]-1-(3-chloro-4-methoxyphenyl)ethanone
CID 62051250
1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860808
1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(ethyl)amino]ethanone
CID 107399792
N-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60509972
2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide
CID 62052942
2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide
CID 94281483
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
1-(3-chloro-4-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432505
1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82052845
N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methoxyethyl)oxamide
CID 108501243

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone (CID 61452098) is 1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone is COCCN(CC(=O)c1ccc(OC)c(Cl)c1)C1CC1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone?
The InChIKey is VNBIGAIVNBIYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-19-8-7-17(12-4-5-12)10-14(18)11-3-6-15(20-2)13(16)9-11/h3,6,9,12H,4-5,7-8,10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone?
1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone has a molecular weight of 297.78 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone is sourced from PubChem (CID 61452098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).