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

C25H29N3O3 — CID 92721352

IUPAC(11R)-10-benzyl-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESC[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3occc32)C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H29N3O3/c1-25(24(30)26-19-11-7-2-3-8-12-19)17-27-20-13-14-31-22(20)15-21(27)23(29)28(25)16-18-9-5-4-6-10-18/h4-6,9-10,13-15,19H,2-3,7-8,11-12,16-17H2,1H3,(H,26,30)/t25-/m1/s1
InChIKeyUEGKLZQULNAPPM-RUZDIDTESA-N
MW419.53 g/mol
LogP4.49
Rot. Bonds4

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

(11R)-10-benzyl-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 92721352) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is (11R)-10-benzyl-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

Compound Name(11R)-10-benzyl-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
PubChem CID92721352
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name(11R)-10-benzyl-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESC[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3occc32)C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H29N3O3/c1-25(24(30)26-19-11-7-2-3-8-12-19)17-27-20-13-14-31-22(20)15-21(27)23(29)28(25)16-18-9-5-4-6-10-18/h4-6,9-10,13-15,19H,2-3,7-8,11-12,16-17H2,1H3,(H,26,30)/t25-/m1/s1
InChIKeyUEGKLZQULNAPPM-RUZDIDTESA-N
XLogP4.49
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (11R)-10-benzyl-N-cycloheptyl-11-methyl-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

N-cyclooctyl-11-methyl-10-[(4-methylphenyl)methyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22521816
(11S)-10-[(3-chlorophenyl)methyl]-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721343
(11S)-N-cyclohexyl-10-[(4-methoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737553
N-cyclooctyl-11-methyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22521801
N-cyclohexyl-11-methyl-9-oxo-10-(3-phenylpropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756429
(11S)-10-[(2-bromophenyl)methyl]-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721427
(11R)-N-cyclooctyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92501297
10-[(2-bromophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756482
(11S)-N-cyclooctyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92501296
(11R)-10-[3-[benzyl(methyl)amino]propyl]-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721472
(11R)-10-(1-benzylpiperidin-4-yl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737626
(11R)-N-cyclohexyl-11-methyl-9-oxo-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737568

Frequently Asked Questions

What is the IUPAC name of (11R)-10-benzyl-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The IUPAC name of (11R)-10-benzyl-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 92721352) is (11R)-10-benzyl-N-cycloheptyl-11-methyl-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 (11R)-10-benzyl-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The canonical SMILES for (11R)-10-benzyl-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3occc32)C(=O)N1Cc1ccccc1.
What is the InChIKey of (11R)-10-benzyl-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The InChIKey is UEGKLZQULNAPPM-RUZDIDTESA-N. The full InChI is InChI=1S/C25H29N3O3/c1-25(24(30)26-19-11-7-2-3-8-12-19)17-27-20-13-14-31-22(20)15-21(27)23(29)28(25)16-18-9-5-4-6-10-18/h4-6,9-10,13-15,19H,2-3,7-8,11-12,16-17H2,1H3,(H,26,30)/t25-/m1/s1.
What are the key properties of (11R)-10-benzyl-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
(11R)-10-benzyl-N-cycloheptyl-11-methyl-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 419.53 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-10-benzyl-N-cycloheptyl-11-methyl-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 92721352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).