N-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C24H35N3O3 — CID 46272326

IUPACN-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCc1cc2c(cc3n2CC(C)(C(=O)NC2CCCCCC2)N(CCC(C)C)C3=O)o1
InChIInChI=1S/C24H35N3O3/c1-16(2)11-12-27-22(28)20-14-21-19(13-17(3)30-21)26(20)15-24(27,4)23(29)25-18-9-7-5-6-8-10-18/h13-14,16,18H,5-12,15H2,1-4H3,(H,25,29)
InChIKeyLNDDUBNQJKMMGF-UHFFFAOYSA-N
MW413.56 g/mol
LogP4.64
Rot. Bonds5

About N-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

N-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 46272326) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
PubChem CID46272326
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC NameN-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCc1cc2c(cc3n2CC(C)(C(=O)NC2CCCCCC2)N(CCC(C)C)C3=O)o1
InChIInChI=1S/C24H35N3O3/c1-16(2)11-12-27-22(28)20-14-21-19(13-17(3)30-21)26(20)15-24(27,4)23(29)25-18-9-7-5-6-8-10-18/h13-14,16,18H,5-12,15H2,1-4H3,(H,25,29)
InChIKeyLNDDUBNQJKMMGF-UHFFFAOYSA-N
XLogP4.64
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide with MolForge

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Related Compounds

(11S)-N-cyclohexyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92903462
N-cyclohexyl-10-[2-(dimethylamino)ethyl]-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756422
N-cyclooctyl-4,11-dimethyl-9-oxo-10-(3-propan-2-yloxypropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22521891
(11R)-N-cyclohexyl-4,11-dimethyl-10-(3-morpholin-4-ylpropyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92903473
(11S)-N-cycloheptyl-10-[3-(dipropylamino)propyl]-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721561
N-cyclohexyl-10-(3-ethoxypropyl)-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide;ethane
CID 143130888
N-cyclohexyl-4,11-dimethyl-9-oxo-10-[3-(4-propylpiperazin-1-yl)propyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22521768
(11S)-N-cycloheptyl-4,11-dimethyl-9-oxo-10-(3-phenylpropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721511
10-[(4-chlorophenyl)methyl]-N-cyclooctyl-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22521874
(11S)-N-cyclohexyl-10-[(4-fluorophenyl)methyl]-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92903464
N-cyclooctyl-10-[(4-fluorophenyl)methyl]-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22521888
(11S)-N-cycloheptyl-4,11-dimethyl-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721549

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The IUPAC name of N-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 46272326) is N-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.
What is the SMILES notation for N-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The canonical SMILES for N-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is Cc1cc2c(cc3n2CC(C)(C(=O)NC2CCCCCC2)N(CCC(C)C)C3=O)o1.
What is the InChIKey of N-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The InChIKey is LNDDUBNQJKMMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-16(2)11-12-27-22(28)20-14-21-19(13-17(3)30-21)26(20)15-24(27,4)23(29)25-18-9-7-5-6-8-10-18/h13-14,16,18H,5-12,15H2,1-4H3,(H,25,29).
What are the key properties of N-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
N-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 46272326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).