2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide

C16H24N2O3 — CID 62037090

IUPAC2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)C(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H24N2O3/c1-6-18(11-15(19)17(3)4)12(2)16(20)13-7-9-14(21-5)10-8-13/h7-10,12H,6,11H2,1-5H3
InChIKeyRINQKOVGOVBAFQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.68
Rot. Bonds7

About 2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide

2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide (PubChem CID 62037090) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide
PubChem CID62037090
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)C(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H24N2O3/c1-6-18(11-15(19)17(3)4)12(2)16(20)13-7-9-14(21-5)10-8-13/h7-10,12H,6,11H2,1-5H3
InChIKeyRINQKOVGOVBAFQ-UHFFFAOYSA-N
XLogP1.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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

2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]-N,N-dimethylacetamide
CID 60864172
2-[[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]-ethylamino]-N,N-dimethylacetamide
CID 62035540
(3S)-4-(4-methoxyphenyl)-N,N,3-trimethyl-4-oxobutanamide
CID 101399645
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide
CID 62030734
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62031315
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 107481165
2,2-diethoxy-1-(4-methoxyphenyl)ethanone
CID 10130946
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
ethyl (2R)-3-(4-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035569
2-[2-methoxyethyl(methyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 61427604
2-[[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 60681805
3-(4-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
CID 165177985

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide (CID 62037090) is 2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)C(C)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide?
The InChIKey is RINQKOVGOVBAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-6-18(11-15(19)17(3)4)12(2)16(20)13-7-9-14(21-5)10-8-13/h7-10,12H,6,11H2,1-5H3.
What are the key properties of 2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide?
2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide has a molecular weight of 292.38 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 62037090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).