3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide

C17H26N2O2 — CID 106916575

IUPAC3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide
SMILESCCc1ccc(C(=O)C(C)N(C)CC(C)C(=O)NC)cc1
InChIInChI=1S/C17H26N2O2/c1-6-14-7-9-15(10-8-14)16(20)13(3)19(5)11-12(2)17(21)18-4/h7-10,12-13H,6,11H2,1-5H3,(H,18,21)
InChIKeyBSGQSFFXSHQOLO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.13
Rot. Bonds7

About 3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide

3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 106916575) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide
PubChem CID106916575
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide
SMILESCCc1ccc(C(=O)C(C)N(C)CC(C)C(=O)NC)cc1
InChIInChI=1S/C17H26N2O2/c1-6-14-7-9-15(10-8-14)16(20)13(3)19(5)11-12(2)17(21)18-4/h7-10,12-13H,6,11H2,1-5H3,(H,18,21)
InChIKeyBSGQSFFXSHQOLO-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-2-methylpropanenitrile
CID 62051506
1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one
CID 113499699
methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate
CID 103722524
N,2-dimethyl-3-[methyl(3-oxopentan-2-yl)amino]propanamide
CID 106916625
methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 103722513
2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one
CID 43794990
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(4-ethylphenyl)propan-1-one
CID 63565949
(2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 96569823
1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one
CID 62051669
(2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 8907646
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273846

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide (CID 106916575) is 3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide is CCc1ccc(C(=O)C(C)N(C)CC(C)C(=O)NC)cc1.
What is the InChIKey of 3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is BSGQSFFXSHQOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-14-7-9-15(10-8-14)16(20)13(3)19(5)11-12(2)17(21)18-4/h7-10,12-13H,6,11H2,1-5H3,(H,18,21).
What are the key properties of 3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide?
3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106916575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).