N-hydroxy-4-(N-(2-oxopyrrolidin-3-yl)-3-propan-2-yloxyanilino)benzamide

C20H23N3O4 — CID 88757367

IUPACN-hydroxy-4-(N-(2-oxopyrrolidin-3-yl)-3-propan-2-yloxyanilino)benzamide
SMILESCC(C)Oc1cccc(N(c2ccc(C(=O)NO)cc2)C2CCNC2=O)c1
InChIInChI=1S/C20H23N3O4/c1-13(2)27-17-5-3-4-16(12-17)23(18-10-11-21-20(18)25)15-8-6-14(7-9-15)19(24)22-26/h3-9,12-13,18,26H,10-11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyNEUHJNOKCVRASD-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.62
Rot. Bonds6

About N-hydroxy-4-(N-(2-oxopyrrolidin-3-yl)-3-propan-2-yloxyanilino)benzamide

N-hydroxy-4-(N-(2-oxopyrrolidin-3-yl)-3-propan-2-yloxyanilino)benzamide (PubChem CID 88757367) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-hydroxy-4-(N-(2-oxopyrrolidin-3-yl)-3-propan-2-yloxyanilino)benzamide.

Molecular Properties

Compound NameN-hydroxy-4-(N-(2-oxopyrrolidin-3-yl)-3-propan-2-yloxyanilino)benzamide
PubChem CID88757367
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-hydroxy-4-(N-(2-oxopyrrolidin-3-yl)-3-propan-2-yloxyanilino)benzamide
SMILESCC(C)Oc1cccc(N(c2ccc(C(=O)NO)cc2)C2CCNC2=O)c1
InChIInChI=1S/C20H23N3O4/c1-13(2)27-17-5-3-4-16(12-17)23(18-10-11-21-20(18)25)15-8-6-14(7-9-15)19(24)22-26/h3-9,12-13,18,26H,10-11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyNEUHJNOKCVRASD-UHFFFAOYSA-N
XLogP2.62
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-4-(N-(2-oxopyrrolidin-3-yl)-3-propan-2-yloxyanilino)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(N-(2-oxopyrrolidin-3-yl)-3-propan-2-yloxyanilino)benzamide?
The IUPAC name of N-hydroxy-4-(N-(2-oxopyrrolidin-3-yl)-3-propan-2-yloxyanilino)benzamide (CID 88757367) is N-hydroxy-4-(N-(2-oxopyrrolidin-3-yl)-3-propan-2-yloxyanilino)benzamide.
What is the SMILES notation for N-hydroxy-4-(N-(2-oxopyrrolidin-3-yl)-3-propan-2-yloxyanilino)benzamide?
The canonical SMILES for N-hydroxy-4-(N-(2-oxopyrrolidin-3-yl)-3-propan-2-yloxyanilino)benzamide is CC(C)Oc1cccc(N(c2ccc(C(=O)NO)cc2)C2CCNC2=O)c1.
What is the InChIKey of N-hydroxy-4-(N-(2-oxopyrrolidin-3-yl)-3-propan-2-yloxyanilino)benzamide?
The InChIKey is NEUHJNOKCVRASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13(2)27-17-5-3-4-16(12-17)23(18-10-11-21-20(18)25)15-8-6-14(7-9-15)19(24)22-26/h3-9,12-13,18,26H,10-11H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-hydroxy-4-(N-(2-oxopyrrolidin-3-yl)-3-propan-2-yloxyanilino)benzamide?
N-hydroxy-4-(N-(2-oxopyrrolidin-3-yl)-3-propan-2-yloxyanilino)benzamide has a molecular weight of 369.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(N-(2-oxopyrrolidin-3-yl)-3-propan-2-yloxyanilino)benzamide is sourced from PubChem (CID 88757367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).