cis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-1-carboxamide

C21H24N2O3 — CID 139969147

IUPACcis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-1-carboxamide
SMILESCc1ccccc1-c1ccc(CC(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C21H24N2O3/c1-14-5-2-3-6-17(14)16-11-9-15(10-12-16)13-20(24)22-19-8-4-7-18(19)21(25)23-26/h2-3,5-6,9-12,18-19,26H,4,7-8,13H2,1H3,(H,22,24)(H,23,25)/t18-,19+/m0/s1
InChIKeyCNSXBDMXGNSYEY-RBUKOAKNSA-N
MW352.43 g/mol
LogP2.99
Rot. Bonds5

About cis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-1-carboxamide

cis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-1-carboxamide (PubChem CID 139969147) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is cis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-1-carboxamide
PubChem CID139969147
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Namecis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-1-carboxamide
SMILESCc1ccccc1-c1ccc(CC(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C21H24N2O3/c1-14-5-2-3-6-17(14)16-11-9-15(10-12-16)13-20(24)22-19-8-4-7-18(19)21(25)23-26/h2-3,5-6,9-12,18-19,26H,4,7-8,13H2,1H3,(H,22,24)(H,23,25)/t18-,19+/m0/s1
InChIKeyCNSXBDMXGNSYEY-RBUKOAKNSA-N
XLogP2.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-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 cis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-1-carboxamide (CID 139969147) is cis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-1-carboxamide is Cc1ccccc1-c1ccc(CC(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)cc1.
What is the InChIKey of cis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-1-carboxamide?
The InChIKey is CNSXBDMXGNSYEY-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-5-2-3-6-17(14)16-11-9-15(10-12-16)13-20(24)22-19-8-4-7-18(19)21(25)23-26/h2-3,5-6,9-12,18-19,26H,4,7-8,13H2,1H3,(H,22,24)(H,23,25)/t18-,19+/m0/s1.
What are the key properties of cis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-1-carboxamide?
cis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 139969147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).