2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone

C13H19N3O2 — CID 113405856

IUPAC2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc(N)c(NCC(=O)N2CCCC2)c1
InChIInChI=1S/C13H19N3O2/c1-18-10-4-5-11(14)12(8-10)15-9-13(17)16-6-2-3-7-16/h4-5,8,15H,2-3,6-7,9,14H2,1H3
InChIKeyQTIWFQFGSSWMSD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.31
Rot. Bonds4

About 2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone

2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone (PubChem CID 113405856) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone
PubChem CID113405856
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc(N)c(NCC(=O)N2CCCC2)c1
InChIInChI=1S/C13H19N3O2/c1-18-10-4-5-11(14)12(8-10)15-9-13(17)16-6-2-3-7-16/h4-5,8,15H,2-3,6-7,9,14H2,1H3
InChIKeyQTIWFQFGSSWMSD-UHFFFAOYSA-N
XLogP1.31
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.31
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

2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone
CID 62401443
N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide
CID 79155990
2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28575998
2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone
CID 28573510
2-(2-amino-4-bromo-5-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 113405855
2-N-(2,2-dimethylbutyl)-4-methoxybenzene-1,2-diamine
CID 103460178
4-methoxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712501
2-(3,4-diaminoanilino)-1-piperidin-1-ylethanone
CID 106751115
2-(2-amino-5-methoxyanilino)ethylurea
CID 83116899
2-(2-amino-5-methoxyanilino)ethyl carbamate
CID 83202729
4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine
CID 106290004
2-(3-acetyl-4-aminoanilino)-1-pyrrolidin-1-ylethanone
CID 104613107

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone (CID 113405856) is 2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone is COc1ccc(N)c(NCC(=O)N2CCCC2)c1.
What is the InChIKey of 2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone?
The InChIKey is QTIWFQFGSSWMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-10-4-5-11(14)12(8-10)15-9-13(17)16-6-2-3-7-16/h4-5,8,15H,2-3,6-7,9,14H2,1H3.
What are the key properties of 2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone?
2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone has a molecular weight of 249.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 113405856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).