N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide

C15H19N3O4 — CID 7379139

IUPACN'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C15H19N3O4/c1-10(19)17-11-4-6-12(7-5-11)18-15(21)14(20)16-9-13-3-2-8-22-13/h4-7,13H,2-3,8-9H2,1H3,(H,16,20)(H,17,19)(H,18,21)/t13-/m0/s1
InChIKeyOXTFPCHGWNZKBX-ZDUSSCGKSA-N
MW305.33 g/mol
LogP0.88
Rot. Bonds4

About N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide

N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide (PubChem CID 7379139) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
PubChem CID7379139
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C15H19N3O4/c1-10(19)17-11-4-6-12(7-5-11)18-15(21)14(20)16-9-13-3-2-8-22-13/h4-7,13H,2-3,8-9H2,1H3,(H,16,20)(H,17,19)(H,18,21)/t13-/m0/s1
InChIKeyOXTFPCHGWNZKBX-ZDUSSCGKSA-N
XLogP0.88
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7585533
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
N-[[(2R)-oxolan-2-yl]methyl]-N'-pyridin-4-yloxamide
CID 41453086
N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7323851
N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide
CID 2926686
N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7256111
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 2274084
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium
CID 8791256
N'-(3-methylsulfanylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453015

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide (CID 7379139) is N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide is CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The InChIKey is OXTFPCHGWNZKBX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-10(19)17-11-4-6-12(7-5-11)18-15(21)14(20)16-9-13-3-2-8-22-13/h4-7,13H,2-3,8-9H2,1H3,(H,16,20)(H,17,19)(H,18,21)/t13-/m0/s1.
What are the key properties of N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide has a molecular weight of 305.33 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 7379139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).