N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide

C17H27N3O3 — CID 40811799

IUPACN-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide
SMILESCOC[C@H](C)NC(=O)CN(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C17H27N3O3/c1-12-7-6-8-13(2)17(12)19-16(22)10-20(4)9-15(21)18-14(3)11-23-5/h6-8,14H,9-11H2,1-5H3,(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyOBIYZWBNKYHGRD-AWEZNQCLSA-N
MW321.42 g/mol
LogP1.32
Rot. Bonds8

About N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide

N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 40811799) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID40811799
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide
SMILESCOC[C@H](C)NC(=O)CN(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C17H27N3O3/c1-12-7-6-8-13(2)17(12)19-16(22)10-20(4)9-15(21)18-14(3)11-23-5/h6-8,14H,9-11H2,1-5H3,(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyOBIYZWBNKYHGRD-AWEZNQCLSA-N
XLogP1.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide with MolForge

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Related Compounds

methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9221932
2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 8793859
N-(2,6-dimethylphenyl)-2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 17462930
N-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 9221920
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 9222192
2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94897721
N-(2,6-dimethylphenyl)-2-[1-(2-methoxyphenyl)ethyl-methylamino]acetamide
CID 86931156
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
N-(2,6-dimethylphenyl)-2-[methyl(methylsulfonylsulfanylmethyl)amino]acetamide
CID 22174350
2-[2-hydroxyethyl(methyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 60683894
methyl 3-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-2-carboxylate
CID 38344560
2-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221968

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide (CID 40811799) is N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide is COC[C@H](C)NC(=O)CN(C)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is OBIYZWBNKYHGRD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12-7-6-8-13(2)17(12)19-16(22)10-20(4)9-15(21)18-14(3)11-23-5/h6-8,14H,9-11H2,1-5H3,(H,18,21)(H,19,22)/t14-/m0/s1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 321.42 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 40811799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).