N-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide

C22H24N2O4 — CID 102505387

IUPACN-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@H]1C=C[C@@H](NC(=O)Cc2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C22H24N2O4/c25-19(13-15-7-3-1-4-8-15)23-17-11-12-18(22(28)21(17)27)24-20(26)14-16-9-5-2-6-10-16/h1-12,17-18,21-22,27-28H,13-14H2,(H,23,25)(H,24,26)/t17-,18+,21+,22-
InChIKeyKAADISVBZGYWIN-MTIDIVMFSA-N
MW380.44 g/mol
LogP0.73
Rot. Bonds6

About N-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide

N-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide (PubChem CID 102505387) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide
PubChem CID102505387
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@H]1C=C[C@@H](NC(=O)Cc2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C22H24N2O4/c25-19(13-15-7-3-1-4-8-15)23-17-11-12-18(22(28)21(17)27)24-20(26)14-16-9-5-2-6-10-16/h1-12,17-18,21-22,27-28H,13-14H2,(H,23,25)(H,24,26)/t17-,18+,21+,22-
InChIKeyKAADISVBZGYWIN-MTIDIVMFSA-N
XLogP0.73
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide 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-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide?
The IUPAC name of N-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide (CID 102505387) is N-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide?
The canonical SMILES for N-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide is O=C(Cc1ccccc1)N[C@H]1C=C[C@@H](NC(=O)Cc2ccccc2)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide?
The InChIKey is KAADISVBZGYWIN-MTIDIVMFSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-19(13-15-7-3-1-4-8-15)23-17-11-12-18(22(28)21(17)27)24-20(26)14-16-9-5-2-6-10-16/h1-12,17-18,21-22,27-28H,13-14H2,(H,23,25)(H,24,26)/t17-,18+,21+,22-.
What are the key properties of N-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide?
N-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide has a molecular weight of 380.44 g/mol, XLogP of 0.73, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide is sourced from PubChem (CID 102505387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).