(1S,7S,9R,15R,21S,23R,29S,30R)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione

C30H50N2O2 — CID 10790568

IUPAC(1S,7S,9R,15R,21S,23R,29S,30R)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione
SMILESC[C@@H]1CN2CCC[C@H]3CCCCC[C@@H]4C(=O)[C@H](C)CN5CCC[C@H](CCCCC[C@H](C1=O)[C@@H]32)[C@@H]45
InChIInChI=1S/C30H50N2O2/c1-21-19-31-17-9-13-23-11-6-4-8-16-26-28-24(14-10-18-32(28)20-22(2)30(26)34)12-5-3-7-15-25(27(23)31)29(21)33/h21-28H,3-20H2,1-2H3/t21-,22-,23-,24+,25+,26+,27-,28+/m1/s1
InChIKeyOCNVVYBTRKWBCO-NDCKAGBASA-N
MW470.74 g/mol
LogP5.73
Rot. Bonds

About (1S,7S,9R,15R,21S,23R,29S,30R)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione

(1S,7S,9R,15R,21S,23R,29S,30R)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione (PubChem CID 10790568) has the molecular formula C30H50N2O2 and a molecular weight of 470.74 g/mol. Its IUPAC name is (1S,7S,9R,15R,21S,23R,29S,30R)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione.

Molecular Properties

Compound Name(1S,7S,9R,15R,21S,23R,29S,30R)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione
PubChem CID10790568
Molecular FormulaC30H50N2O2
Molecular Weight470.74 g/mol
Exact Mass470.39
IUPAC Name(1S,7S,9R,15R,21S,23R,29S,30R)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione
SMILESC[C@@H]1CN2CCC[C@H]3CCCCC[C@@H]4C(=O)[C@H](C)CN5CCC[C@H](CCCCC[C@H](C1=O)[C@@H]32)[C@@H]45
InChIInChI=1S/C30H50N2O2/c1-21-19-31-17-9-13-23-11-6-4-8-16-26-28-24(14-10-18-32(28)20-22(2)30(26)34)12-5-3-7-15-25(27(23)31)29(21)33/h21-28H,3-20H2,1-2H3/t21-,22-,23-,24+,25+,26+,27-,28+/m1/s1
InChIKeyOCNVVYBTRKWBCO-NDCKAGBASA-N
XLogP5.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.74
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,7S,9R,15R,21S,23R,29S,30R)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,7S,9R,15R,21S,23R,29S,30R)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione?
The IUPAC name of (1S,7S,9R,15R,21S,23R,29S,30R)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione (CID 10790568) is (1S,7S,9R,15R,21S,23R,29S,30R)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione.
What is the SMILES notation for (1S,7S,9R,15R,21S,23R,29S,30R)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione?
The canonical SMILES for (1S,7S,9R,15R,21S,23R,29S,30R)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione is C[C@@H]1CN2CCC[C@H]3CCCCC[C@@H]4C(=O)[C@H](C)CN5CCC[C@H](CCCCC[C@H](C1=O)[C@@H]32)[C@@H]45.
What is the InChIKey of (1S,7S,9R,15R,21S,23R,29S,30R)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione?
The InChIKey is OCNVVYBTRKWBCO-NDCKAGBASA-N. The full InChI is InChI=1S/C30H50N2O2/c1-21-19-31-17-9-13-23-11-6-4-8-16-26-28-24(14-10-18-32(28)20-22(2)30(26)34)12-5-3-7-15-25(27(23)31)29(21)33/h21-28H,3-20H2,1-2H3/t21-,22-,23-,24+,25+,26+,27-,28+/m1/s1.
What are the key properties of (1S,7S,9R,15R,21S,23R,29S,30R)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione?
(1S,7S,9R,15R,21S,23R,29S,30R)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione has a molecular weight of 470.74 g/mol, XLogP of 5.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S,9R,15R,21S,23R,29S,30R)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione is sourced from PubChem (CID 10790568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).