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

C12H15N3O3 — CID 106179800

IUPAC2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
SMILESCOc1ccc(N)c(C(=O)NC2CNC(=O)C2)c1
InChIInChI=1S/C12H15N3O3/c1-18-8-2-3-10(13)9(5-8)12(17)15-7-4-11(16)14-6-7/h2-3,5,7H,4,6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyKHKLKALVPVSHMV-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.10
Rot. Bonds3

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

2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide (PubChem CID 106179800) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
PubChem CID106179800
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
SMILESCOc1ccc(N)c(C(=O)NC2CNC(=O)C2)c1
InChIInChI=1S/C12H15N3O3/c1-18-8-2-3-10(13)9(5-8)12(17)15-7-4-11(16)14-6-7/h2-3,5,7H,4,6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyKHKLKALVPVSHMV-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

4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
CID 114154678
1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 75523060
2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide
CID 64749007
2-amino-N-[3-[[4-(carbamoylamino)benzoyl]amino]cyclobutyl]-5-methoxybenzamide
CID 167805801
methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate
CID 95984956
2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115413375
2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 114157018
5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 55245873
2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106187784
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
2-hydroxy-5-iodo-N-(5-oxopyrrolidin-3-yl)benzamide
CID 103526859

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide (CID 106179800) is 2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide is COc1ccc(N)c(C(=O)NC2CNC(=O)C2)c1.
What is the InChIKey of 2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide?
The InChIKey is KHKLKALVPVSHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-8-2-3-10(13)9(5-8)12(17)15-7-4-11(16)14-6-7/h2-3,5,7H,4,6,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide?
2-amino-5-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 2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 106179800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).