N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide

C14H18N2O4 — CID 2037808

IUPACN'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C14H18N2O4/c1-19-11-6-4-10(5-7-11)16-14(18)13(17)15-9-12-3-2-8-20-12/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)/t12-/m1/s1
InChIKeyGTUIGGIYWJCNDA-GFCCVEGCSA-N
MW278.31 g/mol
LogP0.93
Rot. Bonds4

About N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide

N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide (PubChem CID 2037808) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
PubChem CID2037808
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C14H18N2O4/c1-19-11-6-4-10(5-7-11)16-14(18)13(17)15-9-12-3-2-8-20-12/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)/t12-/m1/s1
InChIKeyGTUIGGIYWJCNDA-GFCCVEGCSA-N
XLogP0.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide
CID 2926686
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7585533
N'-[(Z)-(4-methoxyphenyl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7031868
N-[[(2R)-oxolan-2-yl]methyl]-N'-pyridin-4-yloxamide
CID 41453086
3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015917
N-(4-methoxyphenyl)-N'-[(Z)-[4-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]phenyl]methylideneamino]oxamide
CID 94832842
N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7323851
(E)-3-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylprop-2-enamide
CID 1121502
N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7256111
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide (CID 2037808) is N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide is COc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The InChIKey is GTUIGGIYWJCNDA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-11-6-4-10(5-7-11)16-14(18)13(17)15-9-12-3-2-8-20-12/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)/t12-/m1/s1.
What are the key properties of N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide has a molecular weight of 278.31 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 2037808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).