3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

C14H19N3O3 — CID 106249454

IUPAC3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCCOc1c(N)cccc1C(=O)NC1CCN(C)C1=O
InChIInChI=1S/C14H19N3O3/c1-3-20-12-9(5-4-6-10(12)15)13(18)16-11-7-8-17(2)14(11)19/h4-6,11H,3,7-8,15H2,1-2H3,(H,16,18)
InChIKeyMYFYCPIWXPRMBJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.63
Rot. Bonds4

About 3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (PubChem CID 106249454) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
PubChem CID106249454
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCCOc1c(N)cccc1C(=O)NC1CCN(C)C1=O
InChIInChI=1S/C14H19N3O3/c1-3-20-12-9(5-4-6-10(12)15)13(18)16-11-7-8-17(2)14(11)19/h4-6,11H,3,7-8,15H2,1-2H3,(H,16,18)
InChIKeyMYFYCPIWXPRMBJ-UHFFFAOYSA-N
XLogP0.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(propylamino)benzamide
CID 106257709
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 103855167
2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 114164962
2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 106249453
2-(2-methoxyanilino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
CID 124625314
4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113266759
4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 119782044
2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 114194096
(3-amino-2-ethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211675
4-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide
CID 103827378
ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 106258348

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (CID 106249454) is 3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is CCOc1c(N)cccc1C(=O)NC1CCN(C)C1=O.
What is the InChIKey of 3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The InChIKey is MYFYCPIWXPRMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-20-12-9(5-4-6-10(12)15)13(18)16-11-7-8-17(2)14(11)19/h4-6,11H,3,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide has a molecular weight of 277.32 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 106249454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).