N-[(1R,2S,6S,7S,8S)-4-methyl-3,5-dioxo-8-phenyl-9-oxa-4-azatricyclo[5.4.0.02,6]undecan-1-yl]acetamide

C18H20N2O4 — CID 146162424

IUPACN-[(1R,2S,6S,7S,8S)-4-methyl-3,5-dioxo-8-phenyl-9-oxa-4-azatricyclo[5.4.0.02,6]undecan-1-yl]acetamide
SMILESCC(=O)N[C@]12CCO[C@H](c3ccccc3)[C@H]1[C@@H]1C(=O)N(C)C(=O)[C@@H]12
InChIInChI=1S/C18H20N2O4/c1-10(21)19-18-8-9-24-15(11-6-4-3-5-7-11)13(18)12-14(18)17(23)20(2)16(12)22/h3-7,12-15H,8-9H2,1-2H3,(H,19,21)/t12-,13+,14+,15+,18+/m0/s1
InChIKeyLVOZZPNZUUWPEL-BHDXSGHGSA-N
MW328.37 g/mol
LogP0.88
Rot. Bonds2

About N-[(1R,2S,6S,7S,8S)-4-methyl-3,5-dioxo-8-phenyl-9-oxa-4-azatricyclo[5.4.0.02,6]undecan-1-yl]acetamide

N-[(1R,2S,6S,7S,8S)-4-methyl-3,5-dioxo-8-phenyl-9-oxa-4-azatricyclo[5.4.0.02,6]undecan-1-yl]acetamide (PubChem CID 146162424) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(1R,2S,6S,7S,8S)-4-methyl-3,5-dioxo-8-phenyl-9-oxa-4-azatricyclo[5.4.0.02,6]undecan-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,6S,7S,8S)-4-methyl-3,5-dioxo-8-phenyl-9-oxa-4-azatricyclo[5.4.0.02,6]undecan-1-yl]acetamide
PubChem CID146162424
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[(1R,2S,6S,7S,8S)-4-methyl-3,5-dioxo-8-phenyl-9-oxa-4-azatricyclo[5.4.0.02,6]undecan-1-yl]acetamide
SMILESCC(=O)N[C@]12CCO[C@H](c3ccccc3)[C@H]1[C@@H]1C(=O)N(C)C(=O)[C@@H]12
InChIInChI=1S/C18H20N2O4/c1-10(21)19-18-8-9-24-15(11-6-4-3-5-7-11)13(18)12-14(18)17(23)20(2)16(12)22/h3-7,12-15H,8-9H2,1-2H3,(H,19,21)/t12-,13+,14+,15+,18+/m0/s1
InChIKeyLVOZZPNZUUWPEL-BHDXSGHGSA-N
XLogP0.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,6S,7S,8S)-4-methyl-3,5-dioxo-8-phenyl-9-oxa-4-azatricyclo[5.4.0.02,6]undecan-1-yl]acetamide?
The IUPAC name of N-[(1R,2S,6S,7S,8S)-4-methyl-3,5-dioxo-8-phenyl-9-oxa-4-azatricyclo[5.4.0.02,6]undecan-1-yl]acetamide (CID 146162424) is N-[(1R,2S,6S,7S,8S)-4-methyl-3,5-dioxo-8-phenyl-9-oxa-4-azatricyclo[5.4.0.02,6]undecan-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2S,6S,7S,8S)-4-methyl-3,5-dioxo-8-phenyl-9-oxa-4-azatricyclo[5.4.0.02,6]undecan-1-yl]acetamide?
The canonical SMILES for N-[(1R,2S,6S,7S,8S)-4-methyl-3,5-dioxo-8-phenyl-9-oxa-4-azatricyclo[5.4.0.02,6]undecan-1-yl]acetamide is CC(=O)N[C@]12CCO[C@H](c3ccccc3)[C@H]1[C@@H]1C(=O)N(C)C(=O)[C@@H]12.
What is the InChIKey of N-[(1R,2S,6S,7S,8S)-4-methyl-3,5-dioxo-8-phenyl-9-oxa-4-azatricyclo[5.4.0.02,6]undecan-1-yl]acetamide?
The InChIKey is LVOZZPNZUUWPEL-BHDXSGHGSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-10(21)19-18-8-9-24-15(11-6-4-3-5-7-11)13(18)12-14(18)17(23)20(2)16(12)22/h3-7,12-15H,8-9H2,1-2H3,(H,19,21)/t12-,13+,14+,15+,18+/m0/s1.
What are the key properties of N-[(1R,2S,6S,7S,8S)-4-methyl-3,5-dioxo-8-phenyl-9-oxa-4-azatricyclo[5.4.0.02,6]undecan-1-yl]acetamide?
N-[(1R,2S,6S,7S,8S)-4-methyl-3,5-dioxo-8-phenyl-9-oxa-4-azatricyclo[5.4.0.02,6]undecan-1-yl]acetamide has a molecular weight of 328.37 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,6S,7S,8S)-4-methyl-3,5-dioxo-8-phenyl-9-oxa-4-azatricyclo[5.4.0.02,6]undecan-1-yl]acetamide is sourced from PubChem (CID 146162424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).