(1S,2S,5R)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide

C22H31N3O4 — CID 11200444

IUPAC(1S,2S,5R)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide
SMILESO=C(NO)[C@H]1C[C@H](N2CCOCC2)CC[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C22H31N3O4/c26-21(23-28)20-14-18(24-10-12-29-13-11-24)6-7-19(20)22(27)25-9-8-17(15-25)16-4-2-1-3-5-16/h1-5,17-20,28H,6-15H2,(H,23,26)/t17-,18+,19-,20-/m0/s1
InChIKeyORORTZVNJZZXRA-YRPNKDGESA-N
MW401.51 g/mol
LogP1.62
Rot. Bonds4

About (1S,2S,5R)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide

(1S,2S,5R)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide (PubChem CID 11200444) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is (1S,2S,5R)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,2S,5R)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide
PubChem CID11200444
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name(1S,2S,5R)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide
SMILESO=C(NO)[C@H]1C[C@H](N2CCOCC2)CC[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C22H31N3O4/c26-21(23-28)20-14-18(24-10-12-29-13-11-24)6-7-19(20)22(27)25-9-8-17(15-25)16-4-2-1-3-5-16/h1-5,17-20,28H,6-15H2,(H,23,26)/t17-,18+,19-,20-/m0/s1
InChIKeyORORTZVNJZZXRA-YRPNKDGESA-N
XLogP1.62
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.62
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'}

Analyze (1S,2S,5R)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide 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 (1S,2S,5R)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide?
The IUPAC name of (1S,2S,5R)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide (CID 11200444) is (1S,2S,5R)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide.
What is the SMILES notation for (1S,2S,5R)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide?
The canonical SMILES for (1S,2S,5R)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide is O=C(NO)[C@H]1C[C@H](N2CCOCC2)CC[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1.
What is the InChIKey of (1S,2S,5R)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide?
The InChIKey is ORORTZVNJZZXRA-YRPNKDGESA-N. The full InChI is InChI=1S/C22H31N3O4/c26-21(23-28)20-14-18(24-10-12-29-13-11-24)6-7-19(20)22(27)25-9-8-17(15-25)16-4-2-1-3-5-16/h1-5,17-20,28H,6-15H2,(H,23,26)/t17-,18+,19-,20-/m0/s1.
What are the key properties of (1S,2S,5R)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide?
(1S,2S,5R)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 11200444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).