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

C27H33N3O4 — CID 92734777

IUPAC(11R)-N-cycloheptyl-10-[(3-methoxyphenyl)methyl]-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCOc1cccc(CN2C(=O)c3cc4oc(C)cc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C27H33N3O4/c1-18-13-22-24(34-18)15-23-25(31)30(16-19-9-8-12-21(14-19)33-3)27(2,17-29(22)23)26(32)28-20-10-6-4-5-7-11-20/h8-9,12-15,20H,4-7,10-11,16-17H2,1-3H3,(H,28,32)/t27-/m1/s1
InChIKeyHZGMOPSAJORKNQ-HHHXNRCGSA-N
MW463.58 g/mol
LogP4.81
Rot. Bonds5

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

(11R)-N-cycloheptyl-10-[(3-methoxyphenyl)methyl]-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 92734777) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is (11R)-N-cycloheptyl-10-[(3-methoxyphenyl)methyl]-4,11-dimethyl-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)-N-cycloheptyl-10-[(3-methoxyphenyl)methyl]-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
PubChem CID92734777
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name(11R)-N-cycloheptyl-10-[(3-methoxyphenyl)methyl]-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCOc1cccc(CN2C(=O)c3cc4oc(C)cc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C27H33N3O4/c1-18-13-22-24(34-18)15-23-25(31)30(16-19-9-8-12-21(14-19)33-3)27(2,17-29(22)23)26(32)28-20-10-6-4-5-7-11-20/h8-9,12-15,20H,4-7,10-11,16-17H2,1-3H3,(H,28,32)/t27-/m1/s1
InChIKeyHZGMOPSAJORKNQ-HHHXNRCGSA-N
XLogP4.81
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (11R)-N-cycloheptyl-10-[(3-methoxyphenyl)methyl]-4,11-dimethyl-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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Launch Full Analysis

Related Compounds

10-[(3-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 22521871
(11R)-N-cyclohexyl-4,11-dimethyl-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 92737653
(3R)-N-cycloheptyl-7-methoxy-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92720679
(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
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-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 92737698
(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
N-cyclopentyl-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756892
N-cyclohexyl-4,11-dimethyl-10-[(2-methylphenyl)methyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756485
N-cycloheptyl-11-cyclohexyl-10-[(4-methoxyphenyl)methyl]-4-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 143130976
(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

Frequently Asked Questions

What is the IUPAC name of (11R)-N-cycloheptyl-10-[(3-methoxyphenyl)methyl]-4,11-dimethyl-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)-N-cycloheptyl-10-[(3-methoxyphenyl)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 92734777) is (11R)-N-cycloheptyl-10-[(3-methoxyphenyl)methyl]-4,11-dimethyl-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)-N-cycloheptyl-10-[(3-methoxyphenyl)methyl]-4,11-dimethyl-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)-N-cycloheptyl-10-[(3-methoxyphenyl)methyl]-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is COc1cccc(CN2C(=O)c3cc4oc(C)cc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c1.
What is the InChIKey of (11R)-N-cycloheptyl-10-[(3-methoxyphenyl)methyl]-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The InChIKey is HZGMOPSAJORKNQ-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-18-13-22-24(34-18)15-23-25(31)30(16-19-9-8-12-21(14-19)33-3)27(2,17-29(22)23)26(32)28-20-10-6-4-5-7-11-20/h8-9,12-15,20H,4-7,10-11,16-17H2,1-3H3,(H,28,32)/t27-/m1/s1.
What are the key properties of (11R)-N-cycloheptyl-10-[(3-methoxyphenyl)methyl]-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
(11R)-N-cycloheptyl-10-[(3-methoxyphenyl)methyl]-4,11-dimethyl-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 463.58 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-N-cycloheptyl-10-[(3-methoxyphenyl)methyl]-4,11-dimethyl-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 92734777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).