(1R,14S,15R,16S)-5-methoxy-N,16-dimethyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide

C20H26N2O3 — CID 71731083

IUPAC(1R,14S,15R,16S)-5-methoxy-N,16-dimethyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide
SMILESCNC(=O)[C@@H]1[C@@H](C)C[C@@]23c4ccc(OC)cc4CCCN2C(=O)C[C@@H]13
InChIInChI=1S/C20H26N2O3/c1-12-11-20-15-7-6-14(25-3)9-13(15)5-4-8-22(20)17(23)10-16(20)18(12)19(24)21-2/h6-7,9,12,16,18H,4-5,8,10-11H2,1-3H3,(H,21,24)/t12-,16-,18+,20-/m0/s1
InChIKeyMRYZJHCRROZCDJ-NWTRHVOFSA-N
MW342.44 g/mol
LogP2.09
Rot. Bonds2

About (1R,14S,15R,16S)-5-methoxy-N,16-dimethyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide

(1R,14S,15R,16S)-5-methoxy-N,16-dimethyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide (PubChem CID 71731083) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (1R,14S,15R,16S)-5-methoxy-N,16-dimethyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide.

Molecular Properties

Compound Name(1R,14S,15R,16S)-5-methoxy-N,16-dimethyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide
PubChem CID71731083
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(1R,14S,15R,16S)-5-methoxy-N,16-dimethyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide
SMILESCNC(=O)[C@@H]1[C@@H](C)C[C@@]23c4ccc(OC)cc4CCCN2C(=O)C[C@@H]13
InChIInChI=1S/C20H26N2O3/c1-12-11-20-15-7-6-14(25-3)9-13(15)5-4-8-22(20)17(23)10-16(20)18(12)19(24)21-2/h6-7,9,12,16,18H,4-5,8,10-11H2,1-3H3,(H,21,24)/t12-,16-,18+,20-/m0/s1
InChIKeyMRYZJHCRROZCDJ-NWTRHVOFSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,14S,15R,16S)-5-methoxy-N,16-dimethyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,14S,15R,16S)-5-methoxy-N,16-dimethyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide?
The IUPAC name of (1R,14S,15R,16S)-5-methoxy-N,16-dimethyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide (CID 71731083) is (1R,14S,15R,16S)-5-methoxy-N,16-dimethyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide.
What is the SMILES notation for (1R,14S,15R,16S)-5-methoxy-N,16-dimethyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide?
The canonical SMILES for (1R,14S,15R,16S)-5-methoxy-N,16-dimethyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide is CNC(=O)[C@@H]1[C@@H](C)C[C@@]23c4ccc(OC)cc4CCCN2C(=O)C[C@@H]13.
What is the InChIKey of (1R,14S,15R,16S)-5-methoxy-N,16-dimethyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide?
The InChIKey is MRYZJHCRROZCDJ-NWTRHVOFSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-12-11-20-15-7-6-14(25-3)9-13(15)5-4-8-22(20)17(23)10-16(20)18(12)19(24)21-2/h6-7,9,12,16,18H,4-5,8,10-11H2,1-3H3,(H,21,24)/t12-,16-,18+,20-/m0/s1.
What are the key properties of (1R,14S,15R,16S)-5-methoxy-N,16-dimethyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide?
(1R,14S,15R,16S)-5-methoxy-N,16-dimethyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,14S,15R,16S)-5-methoxy-N,16-dimethyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide is sourced from PubChem (CID 71731083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).