2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide

C19H31N3O2 — CID 86909917

IUPAC2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCCN(CC)C(=O)CN(C)C(C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C19H31N3O2/c1-7-22(8-2)18(23)13-21(6)15(5)19(24)20-17-12-10-9-11-16(17)14(3)4/h9-12,14-15H,7-8,13H2,1-6H3,(H,20,24)
InChIKeyLYLOFNKVVSOMPL-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.94
Rot. Bonds8

About 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide

2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 86909917) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide
PubChem CID86909917
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCCN(CC)C(=O)CN(C)C(C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C19H31N3O2/c1-7-22(8-2)18(23)13-21(6)15(5)19(24)20-17-12-10-9-11-16(17)14(3)4/h9-12,14-15H,7-8,13H2,1-6H3,(H,20,24)
InChIKeyLYLOFNKVVSOMPL-UHFFFAOYSA-N
XLogP2.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 71908103
3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
CID 61181082
1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea
CID 108989019
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053428
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 40746002
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9252915
(2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide
CID 8712415
(2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide
CID 8712413
N-(2-propan-2-ylphenyl)propanamide
CID 723442
(2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9302665
(2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 95630574

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide (CID 86909917) is 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide is CCN(CC)C(=O)CN(C)C(C)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is LYLOFNKVVSOMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-7-22(8-2)18(23)13-21(6)15(5)19(24)20-17-12-10-9-11-16(17)14(3)4/h9-12,14-15H,7-8,13H2,1-6H3,(H,20,24).
What are the key properties of 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide?
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 333.48 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 86909917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).