2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide

C16H24N2O3 — CID 62031315

IUPAC2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)c1ccc(OC)cc1)CC(=O)N(C)C
InChIInChI=1S/C16H24N2O3/c1-5-10-18(12-16(20)17(2)3)11-15(19)13-6-8-14(21-4)9-7-13/h6-9H,5,10-12H2,1-4H3
InChIKeyQWJYYSGHEGRZBW-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.68
Rot. Bonds8

About 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide

2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide (PubChem CID 62031315) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
PubChem CID62031315
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)c1ccc(OC)cc1)CC(=O)N(C)C
InChIInChI=1S/C16H24N2O3/c1-5-10-18(12-16(20)17(2)3)11-15(19)13-6-8-14(21-4)9-7-13/h6-9H,5,10-12H2,1-4H3
InChIKeyQWJYYSGHEGRZBW-UHFFFAOYSA-N
XLogP1.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
CID 165177985
2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide
CID 62037090
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62031117
2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide
CID 62036311
2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62030551
2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 78823618
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148
2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62332829
(3S)-4-(4-methoxyphenyl)-N,N,3-trimethyl-4-oxobutanamide
CID 101399645
2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
CID 60650628
2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone
CID 62050940

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide (CID 62031315) is 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)c1ccc(OC)cc1)CC(=O)N(C)C.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide?
The InChIKey is QWJYYSGHEGRZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-10-18(12-16(20)17(2)3)11-15(19)13-6-8-14(21-4)9-7-13/h6-9H,5,10-12H2,1-4H3.
What are the key properties of 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide?
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide has a molecular weight of 292.38 g/mol, XLogP of 1.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 62031315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).