N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide

C16H22N2O3 — CID 2291222

IUPACN-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCCO2)c(C)c1
InChIInChI=1S/C16H22N2O3/c1-10-7-11(2)14(12(3)8-10)18-16(20)15(19)17-9-13-5-4-6-21-13/h7-8,13H,4-6,9H2,1-3H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyYIGODOHMWVZKAW-ZDUSSCGKSA-N
MW290.36 g/mol
LogP1.85
Rot. Bonds3

About N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide

N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide (PubChem CID 2291222) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide
PubChem CID2291222
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCCO2)c(C)c1
InChIInChI=1S/C16H22N2O3/c1-10-7-11(2)14(12(3)8-10)18-16(20)15(19)17-9-13-5-4-6-21-13/h7-8,13H,4-6,9H2,1-3H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyYIGODOHMWVZKAW-ZDUSSCGKSA-N
XLogP1.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41452901
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7256111
2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 110419575
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
1-(2-chloro-4,6-dimethylphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 43384857
N-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
CID 54811884
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
N-[[(2R)-oxolan-2-yl]methyl]-N'-pyridin-4-yloxamide
CID 41453086
N-[[(2S)-oxolan-2-yl]methyl]-N'-[(Z)-[3-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
CID 126259118
N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7585533

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide (CID 2291222) is N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCCO2)c(C)c1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is YIGODOHMWVZKAW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-7-11(2)14(12(3)8-10)18-16(20)15(19)17-9-13-5-4-6-21-13/h7-8,13H,4-6,9H2,1-3H3,(H,17,19)(H,18,20)/t13-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide?
N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 290.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 2291222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).