2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide

C18H27N3O3 — CID 78818567

IUPAC2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)NCC1CCCO1
InChIInChI=1S/C18H27N3O3/c1-13-6-4-7-14(2)18(13)20-17(23)12-21(3)11-16(22)19-10-15-8-5-9-24-15/h4,6-7,15H,5,8-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyUFGYUNWMHLQWKO-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.47
Rot. Bonds7

About 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide

2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 78818567) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID78818567
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)NCC1CCCO1
InChIInChI=1S/C18H27N3O3/c1-13-6-4-7-14(2)18(13)20-17(23)12-21(3)11-16(22)19-10-15-8-5-9-24-15/h4,6-7,15H,5,8-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyUFGYUNWMHLQWKO-UHFFFAOYSA-N
XLogP1.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]acetamide
CID 8790889
2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95304590
N-(2,6-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016069
2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 60507252
2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554
2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167272
N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943680
N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815604
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54818429
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78793510
2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 8793859
2-[methyl(piperidin-4-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 79716446

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 78818567) is 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)CC(=O)NCC1CCCO1.
What is the InChIKey of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is UFGYUNWMHLQWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-6-4-7-14(2)18(13)20-17(23)12-21(3)11-16(22)19-10-15-8-5-9-24-15/h4,6-7,15H,5,8-12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 333.43 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 78818567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).