(2R,4'R,11'R)-N,18'-dimethyl-5,15'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,4.05,9.013,18]octadeca-1,13-diene]-11'-carboxamide

C24H29NO4 — CID 142249620

IUPAC(2R,4'R,11'R)-N,18'-dimethyl-5,15'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,4.05,9.013,18]octadeca-1,13-diene]-11'-carboxamide
SMILESCNC(=O)[C@@H]1CC2=CC(=O)CCC2(C)C2=C3C[C@@H]3C3C(CC[C@@]34CCC(=O)O4)C21
InChIInChI=1S/C24H29NO4/c1-23-6-3-13(26)9-12(23)10-17(22(28)25-2)19-14-4-7-24(8-5-18(27)29-24)20(14)15-11-16(15)21(19)23/h9,14-15,17,19-20H,3-8,10-11H2,1-2H3,(H,25,28)/t14?,15-,17+,19?,20?,23?,24+/m0/s1
InChIKeyQQZLJKRNCKZNGF-ITKYPKGXSA-N
MW395.50 g/mol
LogP3.10
Rot. Bonds1

About (2R,4'R,11'R)-N,18'-dimethyl-5,15'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,4.05,9.013,18]octadeca-1,13-diene]-11'-carboxamide

(2R,4'R,11'R)-N,18'-dimethyl-5,15'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,4.05,9.013,18]octadeca-1,13-diene]-11'-carboxamide (PubChem CID 142249620) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is (2R,4'R,11'R)-N,18'-dimethyl-5,15'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,4.05,9.013,18]octadeca-1,13-diene]-11'-carboxamide.

Molecular Properties

Compound Name(2R,4'R,11'R)-N,18'-dimethyl-5,15'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,4.05,9.013,18]octadeca-1,13-diene]-11'-carboxamide
PubChem CID142249620
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name(2R,4'R,11'R)-N,18'-dimethyl-5,15'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,4.05,9.013,18]octadeca-1,13-diene]-11'-carboxamide
SMILESCNC(=O)[C@@H]1CC2=CC(=O)CCC2(C)C2=C3C[C@@H]3C3C(CC[C@@]34CCC(=O)O4)C21
InChIInChI=1S/C24H29NO4/c1-23-6-3-13(26)9-12(23)10-17(22(28)25-2)19-14-4-7-24(8-5-18(27)29-24)20(14)15-11-16(15)21(19)23/h9,14-15,17,19-20H,3-8,10-11H2,1-2H3,(H,25,28)/t14?,15-,17+,19?,20?,23?,24+/m0/s1
InChIKeyQQZLJKRNCKZNGF-ITKYPKGXSA-N
XLogP3.10
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,4'R,11'R)-N,18'-dimethyl-5,15'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,4.05,9.013,18]octadeca-1,13-diene]-11'-carboxamide with MolForge

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Related Compounds

(2S,14R,15S,17S)-N,2,15-trimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxamide
CID 22833809
methyl (7R,8R,10S,13R,14R,17S)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate
CID 124897993
methyl (8R,10S,13S,14R,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate
CID 129317533
methyl (7R,8S,10S,13S,14R,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate
CID 40544147
methane;methyl (7R,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate
CID 161131251
(7R,8R,10S,13S,14S,17R)-7-(2-hydroxy-2-methoxyacetyl)-10,13-dimethylspiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 71189716
3-methylbutyl (1R,2S,9R,10R,11R,14R,15S)-2-methyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate
CID 24764751
(3S,5S,6S,15R,21R,23S)-6,15-dimethyl-7-oxaheptacyclo[12.9.0.02,11.03,5.06,11.015,20.021,23]tricosa-13,19-diene-8,18-dione
CID 70944096
methyl 10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate
CID 21133145
methyl (7R,8S,9S,10R,11R,13S)-10,11,13-trimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate
CID 58825369
CID 101182657
CID 101182657
(7R,8R,10S,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carbonitrile
CID 23257018

Frequently Asked Questions

What is the IUPAC name of (2R,4'R,11'R)-N,18'-dimethyl-5,15'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,4.05,9.013,18]octadeca-1,13-diene]-11'-carboxamide?
The IUPAC name of (2R,4'R,11'R)-N,18'-dimethyl-5,15'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,4.05,9.013,18]octadeca-1,13-diene]-11'-carboxamide (CID 142249620) is (2R,4'R,11'R)-N,18'-dimethyl-5,15'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,4.05,9.013,18]octadeca-1,13-diene]-11'-carboxamide.
What is the SMILES notation for (2R,4'R,11'R)-N,18'-dimethyl-5,15'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,4.05,9.013,18]octadeca-1,13-diene]-11'-carboxamide?
The canonical SMILES for (2R,4'R,11'R)-N,18'-dimethyl-5,15'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,4.05,9.013,18]octadeca-1,13-diene]-11'-carboxamide is CNC(=O)[C@@H]1CC2=CC(=O)CCC2(C)C2=C3C[C@@H]3C3C(CC[C@@]34CCC(=O)O4)C21.
What is the InChIKey of (2R,4'R,11'R)-N,18'-dimethyl-5,15'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,4.05,9.013,18]octadeca-1,13-diene]-11'-carboxamide?
The InChIKey is QQZLJKRNCKZNGF-ITKYPKGXSA-N. The full InChI is InChI=1S/C24H29NO4/c1-23-6-3-13(26)9-12(23)10-17(22(28)25-2)19-14-4-7-24(8-5-18(27)29-24)20(14)15-11-16(15)21(19)23/h9,14-15,17,19-20H,3-8,10-11H2,1-2H3,(H,25,28)/t14?,15-,17+,19?,20?,23?,24+/m0/s1.
What are the key properties of (2R,4'R,11'R)-N,18'-dimethyl-5,15'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,4.05,9.013,18]octadeca-1,13-diene]-11'-carboxamide?
(2R,4'R,11'R)-N,18'-dimethyl-5,15'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,4.05,9.013,18]octadeca-1,13-diene]-11'-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4'R,11'R)-N,18'-dimethyl-5,15'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,4.05,9.013,18]octadeca-1,13-diene]-11'-carboxamide is sourced from PubChem (CID 142249620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).