N-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]acetamide

C16H20N4O4 — CID 118478168

IUPACN-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]acetamide
SMILESCC(=O)NC1COC2CC[C@@H](C(=O)NNc3ccccc3)N2C1=O
InChIInChI=1S/C16H20N4O4/c1-10(21)17-12-9-24-14-8-7-13(20(14)16(12)23)15(22)19-18-11-5-3-2-4-6-11/h2-6,12-14,18H,7-9H2,1H3,(H,17,21)(H,19,22)/t12?,13-,14?/m0/s1
InChIKeyLHVNNEINZAULDT-MOKVOYLWSA-N
MW332.36 g/mol
LogP-0.02
Rot. Bonds4

About N-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]acetamide

N-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]acetamide (PubChem CID 118478168) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]acetamide
PubChem CID118478168
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC NameN-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]acetamide
SMILESCC(=O)NC1COC2CC[C@@H](C(=O)NNc3ccccc3)N2C1=O
InChIInChI=1S/C16H20N4O4/c1-10(21)17-12-9-24-14-8-7-13(20(14)16(12)23)15(22)19-18-11-5-3-2-4-6-11/h2-6,12-14,18H,7-9H2,1H3,(H,17,21)(H,19,22)/t12?,13-,14?/m0/s1
InChIKeyLHVNNEINZAULDT-MOKVOYLWSA-N
XLogP-0.02
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]acetamide?
The IUPAC name of N-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]acetamide (CID 118478168) is N-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]acetamide.
What is the SMILES notation for N-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]acetamide?
The canonical SMILES for N-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]acetamide is CC(=O)NC1COC2CC[C@@H](C(=O)NNc3ccccc3)N2C1=O.
What is the InChIKey of N-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]acetamide?
The InChIKey is LHVNNEINZAULDT-MOKVOYLWSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-10(21)17-12-9-24-14-8-7-13(20(14)16(12)23)15(22)19-18-11-5-3-2-4-6-11/h2-6,12-14,18H,7-9H2,1H3,(H,17,21)(H,19,22)/t12?,13-,14?/m0/s1.
What are the key properties of N-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]acetamide?
N-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]acetamide has a molecular weight of 332.36 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]acetamide is sourced from PubChem (CID 118478168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).