N-[2-[(2-hydroxy-5-oxopyrrolidin-3-yl)amino]ethyl]-2-(methylamino)benzamide

C14H20N4O3 — CID 130441749

IUPACN-[2-[(2-hydroxy-5-oxopyrrolidin-3-yl)amino]ethyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCCNC1CC(=O)NC1O
InChIInChI=1S/C14H20N4O3/c1-15-10-5-3-2-4-9(10)13(20)17-7-6-16-11-8-12(19)18-14(11)21/h2-5,11,14-16,21H,6-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyNAYFZPGYFXIYGE-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.75
Rot. Bonds6

About N-[2-[(2-hydroxy-5-oxopyrrolidin-3-yl)amino]ethyl]-2-(methylamino)benzamide

N-[2-[(2-hydroxy-5-oxopyrrolidin-3-yl)amino]ethyl]-2-(methylamino)benzamide (PubChem CID 130441749) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-5-oxopyrrolidin-3-yl)amino]ethyl]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-5-oxopyrrolidin-3-yl)amino]ethyl]-2-(methylamino)benzamide
PubChem CID130441749
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-[2-[(2-hydroxy-5-oxopyrrolidin-3-yl)amino]ethyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCCNC1CC(=O)NC1O
InChIInChI=1S/C14H20N4O3/c1-15-10-5-3-2-4-9(10)13(20)17-7-6-16-11-8-12(19)18-14(11)21/h2-5,11,14-16,21H,6-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyNAYFZPGYFXIYGE-UHFFFAOYSA-N
XLogP-0.75
TPSA102.49 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62979065
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
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CID 61377470
N-[2-(1,1-dioxothian-4-yl)ethyl]-2-(methylamino)benzamide
CID 128713300
2-(methylamino)-N-(4-methylpentyl)benzamide
CID 61377674
2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 114175674
2-(methylamino)-N-(3-methylbut-2-enyl)benzamide
CID 106191072
2-(methylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 113450456
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62636522
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107419522
N-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide
CID 135273268
N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide
CID 62663478

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-5-oxopyrrolidin-3-yl)amino]ethyl]-2-(methylamino)benzamide?
The IUPAC name of N-[2-[(2-hydroxy-5-oxopyrrolidin-3-yl)amino]ethyl]-2-(methylamino)benzamide (CID 130441749) is N-[2-[(2-hydroxy-5-oxopyrrolidin-3-yl)amino]ethyl]-2-(methylamino)benzamide.
What is the SMILES notation for N-[2-[(2-hydroxy-5-oxopyrrolidin-3-yl)amino]ethyl]-2-(methylamino)benzamide?
The canonical SMILES for N-[2-[(2-hydroxy-5-oxopyrrolidin-3-yl)amino]ethyl]-2-(methylamino)benzamide is CNc1ccccc1C(=O)NCCNC1CC(=O)NC1O.
What is the InChIKey of N-[2-[(2-hydroxy-5-oxopyrrolidin-3-yl)amino]ethyl]-2-(methylamino)benzamide?
The InChIKey is NAYFZPGYFXIYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-15-10-5-3-2-4-9(10)13(20)17-7-6-16-11-8-12(19)18-14(11)21/h2-5,11,14-16,21H,6-8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-[(2-hydroxy-5-oxopyrrolidin-3-yl)amino]ethyl]-2-(methylamino)benzamide?
N-[2-[(2-hydroxy-5-oxopyrrolidin-3-yl)amino]ethyl]-2-(methylamino)benzamide has a molecular weight of 292.34 g/mol, XLogP of -0.75, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-5-oxopyrrolidin-3-yl)amino]ethyl]-2-(methylamino)benzamide is sourced from PubChem (CID 130441749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).