4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide

C12H15N3O3 — CID 114154678

IUPAC4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
SMILESCOc1cc(N)ccc1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C12H15N3O3/c1-18-10-4-7(13)2-3-9(10)12(17)15-8-5-11(16)14-6-8/h2-4,8H,5-6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyMSOROBWJEMRUEV-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.10
Rot. Bonds3

About 4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide

4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide (PubChem CID 114154678) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
PubChem CID114154678
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
SMILESCOc1cc(N)ccc1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C12H15N3O3/c1-18-10-4-7(13)2-3-9(10)12(17)15-8-5-11(16)14-6-8/h2-4,8H,5-6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyMSOROBWJEMRUEV-UHFFFAOYSA-N
XLogP-0.10
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 55245873
4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide
CID 113467050
2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106179800
4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55245874
methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate
CID 95984956
2-amino-5-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 106197793
3-amino-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 55246056
3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide
CID 10313807
4-amino-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
CID 106179845
2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106187784
2-hydroxy-5-iodo-N-(5-oxopyrrolidin-3-yl)benzamide
CID 103526859
5-amino-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 28690128

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide (CID 114154678) is 4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide is COc1cc(N)ccc1C(=O)NC1CNC(=O)C1.
What is the InChIKey of 4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide?
The InChIKey is MSOROBWJEMRUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-10-4-7(13)2-3-9(10)12(17)15-8-5-11(16)14-6-8/h2-4,8H,5-6,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide?
4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide has a molecular weight of 249.27 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 114154678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).