(2R)-N-hydroxy-1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzoyl]pyrrolidine-2-carboxamide

C25H27N3O4 — CID 155522902

IUPAC(2R)-N-hydroxy-1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzoyl]pyrrolidine-2-carboxamide
SMILESO=C(NO)[C@H]1CCCN1C(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C25H27N3O4/c29-24(26-31)23-2-1-13-28(23)25(30)22-11-9-20(10-12-22)4-3-19-5-7-21(8-6-19)18-27-14-16-32-17-15-27/h5-12,23,31H,1-2,13-18H2,(H,26,29)/t23-/m1/s1
InChIKeyQRQKVQCDKFEWSW-HSZRJFAPSA-N
MW433.51 g/mol
LogP2.03
Rot. Bonds4

About (2R)-N-hydroxy-1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzoyl]pyrrolidine-2-carboxamide

(2R)-N-hydroxy-1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzoyl]pyrrolidine-2-carboxamide (PubChem CID 155522902) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is (2R)-N-hydroxy-1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzoyl]pyrrolidine-2-carboxamide
PubChem CID155522902
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name(2R)-N-hydroxy-1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzoyl]pyrrolidine-2-carboxamide
SMILESO=C(NO)[C@H]1CCCN1C(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C25H27N3O4/c29-24(26-31)23-2-1-13-28(23)25(30)22-11-9-20(10-12-22)4-3-19-5-7-21(8-6-19)18-27-14-16-32-17-15-27/h5-12,23,31H,1-2,13-18H2,(H,26,29)/t23-/m1/s1
InChIKeyQRQKVQCDKFEWSW-HSZRJFAPSA-N
XLogP2.03
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.03
H-Bond Donors ≤ 52
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-hydroxy-1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzoyl]pyrrolidine-2-carboxamide (CID 155522902) is (2R)-N-hydroxy-1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-hydroxy-1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-hydroxy-1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzoyl]pyrrolidine-2-carboxamide is O=C(NO)[C@H]1CCCN1C(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of (2R)-N-hydroxy-1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is QRQKVQCDKFEWSW-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H27N3O4/c29-24(26-31)23-2-1-13-28(23)25(30)22-11-9-20(10-12-22)4-3-19-5-7-21(8-6-19)18-27-14-16-32-17-15-27/h5-12,23,31H,1-2,13-18H2,(H,26,29)/t23-/m1/s1.
What are the key properties of (2R)-N-hydroxy-1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzoyl]pyrrolidine-2-carboxamide?
(2R)-N-hydroxy-1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 155522902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).