N-(2-hydroxy-3-phenylpropyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

C21H23N3O4 — CID 56765313

IUPACN-(2-hydroxy-3-phenylpropyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESO=C(NCC(O)Cc1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H23N3O4/c25-18(12-15-6-2-1-3-7-15)14-22-20(27)21(28)23-16-8-4-9-17(13-16)24-11-5-10-19(24)26/h1-4,6-9,13,18,25H,5,10-12,14H2,(H,22,27)(H,23,28)
InChIKeyRBLPEQJNPWZXRI-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.47
Rot. Bonds6

About N-(2-hydroxy-3-phenylpropyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

N-(2-hydroxy-3-phenylpropyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (PubChem CID 56765313) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
PubChem CID56765313
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESO=C(NCC(O)Cc1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H23N3O4/c25-18(12-15-6-2-1-3-7-15)14-22-20(27)21(28)23-16-8-4-9-17(13-16)24-11-5-10-19(24)26/h1-4,6-9,13,18,25H,5,10-12,14H2,(H,22,27)(H,23,28)
InChIKeyRBLPEQJNPWZXRI-UHFFFAOYSA-N
XLogP1.47
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (CID 56765313) is N-(2-hydroxy-3-phenylpropyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is O=C(NCC(O)Cc1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The InChIKey is RBLPEQJNPWZXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c25-18(12-15-6-2-1-3-7-15)14-22-20(27)21(28)23-16-8-4-9-17(13-16)24-11-5-10-19(24)26/h1-4,6-9,13,18,25H,5,10-12,14H2,(H,22,27)(H,23,28).
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
N-(2-hydroxy-3-phenylpropyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide has a molecular weight of 381.43 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 56765313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).