2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide

C14H20N4O2 — CID 61117076

IUPAC2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
SMILESCC(CN1CCCC1=O)NC(=O)c1ccc(N)cc1N
InChIInChI=1S/C14H20N4O2/c1-9(8-18-6-2-3-13(18)19)17-14(20)11-5-4-10(15)7-12(11)16/h4-5,7,9H,2-3,6,8,15-16H2,1H3,(H,17,20)
InChIKeyRMWCWQZNXTZKLR-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.59
Rot. Bonds4

About 2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide

2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide (PubChem CID 61117076) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
PubChem CID61117076
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
SMILESCC(CN1CCCC1=O)NC(=O)c1ccc(N)cc1N
InChIInChI=1S/C14H20N4O2/c1-9(8-18-6-2-3-13(18)19)17-14(20)11-5-4-10(15)7-12(11)16/h4-5,7,9H,2-3,6,8,15-16H2,1H3,(H,17,20)
InChIKeyRMWCWQZNXTZKLR-UHFFFAOYSA-N
XLogP0.59
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 115745779
4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 62678143
4-bromo-2-methoxy-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 78988208
3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide
CID 80695549
4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60928640
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 61062526
3-bromo-2-methyl-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 97054372
2-amino-N-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]acetamide
CID 54863279
2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459775
6-oxo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyridine-2-carboxamide
CID 107362990
3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60934371
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61471794

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
The IUPAC name of 2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide (CID 61117076) is 2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide is CC(CN1CCCC1=O)NC(=O)c1ccc(N)cc1N.
What is the InChIKey of 2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
The InChIKey is RMWCWQZNXTZKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(8-18-6-2-3-13(18)19)17-14(20)11-5-4-10(15)7-12(11)16/h4-5,7,9H,2-3,6,8,15-16H2,1H3,(H,17,20).
What are the key properties of 2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide has a molecular weight of 276.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 61117076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).