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

C23H32N2O3 — CID 71731084

IUPAC(1R,14S,15R,16S)-N,N-diethyl-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1[C@@H](C)C[C@@]23c4ccc(OC)cc4CCCN2C(=O)C[C@@H]13
InChIInChI=1S/C23H32N2O3/c1-5-24(6-2)22(27)21-15(3)14-23-18-10-9-17(28-4)12-16(18)8-7-11-25(23)20(26)13-19(21)23/h9-10,12,15,19,21H,5-8,11,13-14H2,1-4H3/t15-,19-,21+,23-/m0/s1
InChIKeyZHPYSTCNWRWXHD-HFBFHVOCSA-N
MW384.52 g/mol
LogP3.21
Rot. Bonds4

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

(1R,14S,15R,16S)-N,N-diethyl-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide (PubChem CID 71731084) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is (1R,14S,15R,16S)-N,N-diethyl-5-methoxy-16-methyl-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)-N,N-diethyl-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide
PubChem CID71731084
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name(1R,14S,15R,16S)-N,N-diethyl-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1[C@@H](C)C[C@@]23c4ccc(OC)cc4CCCN2C(=O)C[C@@H]13
InChIInChI=1S/C23H32N2O3/c1-5-24(6-2)22(27)21-15(3)14-23-18-10-9-17(28-4)12-16(18)8-7-11-25(23)20(26)13-19(21)23/h9-10,12,15,19,21H,5-8,11,13-14H2,1-4H3/t15-,19-,21+,23-/m0/s1
InChIKeyZHPYSTCNWRWXHD-HFBFHVOCSA-N
XLogP3.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,14S,15R,16S)-N,N-diethyl-5-methoxy-16-methyl-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)-N,N-diethyl-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide (CID 71731084) is (1R,14S,15R,16S)-N,N-diethyl-5-methoxy-16-methyl-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)-N,N-diethyl-5-methoxy-16-methyl-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)-N,N-diethyl-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide is CCN(CC)C(=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)-N,N-diethyl-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide?
The InChIKey is ZHPYSTCNWRWXHD-HFBFHVOCSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-5-24(6-2)22(27)21-15(3)14-23-18-10-9-17(28-4)12-16(18)8-7-11-25(23)20(26)13-19(21)23/h9-10,12,15,19,21H,5-8,11,13-14H2,1-4H3/t15-,19-,21+,23-/m0/s1.
What are the key properties of (1R,14S,15R,16S)-N,N-diethyl-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide?
(1R,14S,15R,16S)-N,N-diethyl-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,14S,15R,16S)-N,N-diethyl-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxamide is sourced from PubChem (CID 71731084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).