3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide

C15H21ClN2O3 — CID 106916621

IUPAC3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)CC(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-10(15(20)17-2)8-18(3)9-13(19)11-5-6-14(21-4)12(16)7-11/h5-7,10H,8-9H2,1-4H3,(H,17,20)
InChIKeyRIWSSRQXAYMBPM-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.85
Rot. Bonds7

About 3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide

3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 106916621) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
PubChem CID106916621
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)CC(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-10(15(20)17-2)8-18(3)9-13(19)11-5-6-14(21-4)12(16)7-11/h5-7,10H,8-9H2,1-4H3,(H,17,20)
InChIKeyRIWSSRQXAYMBPM-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106916558
3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106916614
2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide
CID 62052942
1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860808
1-(3-chloro-4-methoxyphenyl)-3-methylbutan-1-one
CID 43161730
N,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide
CID 106916615
3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]butanenitrile
CID 63223438
2-[bis(2-hydroxyethyl)amino]-1-(3-chloro-4-methoxyphenyl)ethanone
CID 62051250
1-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
CID 94271574
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 110823882
1-(3-chloro-4-methoxyphenyl)-3-methylpentan-1-one
CID 114873991

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide (CID 106916621) is 3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)CC(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is RIWSSRQXAYMBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-10(15(20)17-2)8-18(3)9-13(19)11-5-6-14(21-4)12(16)7-11/h5-7,10H,8-9H2,1-4H3,(H,17,20).
What are the key properties of 3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide?
3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 312.80 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106916621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).