2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide

C26H23N3O3 — CID 10764856

IUPAC2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide
SMILESCOc1ccccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2cc(C)cc3c2N(CC3)C1=O
InChIInChI=1S/C26H23N3O3/c1-16-14-18-12-13-29-23(18)20(15-16)22(17-8-4-3-5-9-17)27-24(26(29)31)28-25(30)19-10-6-7-11-21(19)32-2/h3-11,14-15,24H,12-13H2,1-2H3,(H,28,30)/t24-/m0/s1
InChIKeySJCAKQQKKYOKDO-DEOSSOPVSA-N
MW425.49 g/mol
LogP3.50
Rot. Bonds4

About 2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide

2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide (PubChem CID 10764856) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide
PubChem CID10764856
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide
SMILESCOc1ccccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2cc(C)cc3c2N(CC3)C1=O
InChIInChI=1S/C26H23N3O3/c1-16-14-18-12-13-29-23(18)20(15-16)22(17-8-4-3-5-9-17)27-24(26(29)31)28-25(30)19-10-6-7-11-21(19)32-2/h3-11,14-15,24H,12-13H2,1-2H3,(H,28,30)/t24-/m0/s1
InChIKeySJCAKQQKKYOKDO-DEOSSOPVSA-N
XLogP3.50
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide with MolForge

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Related Compounds

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CID 10526455
N-[(1-Acetyl-2,3-dihydro-1H-indol-5-YL)methyl]-2-ethoxybenzamide
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2,4-dimethoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide
CID 44348995
(S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-methyl-2-oxo-5-(4-oxo-4H-chromen-7-yl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-propionamide
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4-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
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N-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2-methoxy-benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide?
The IUPAC name of 2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide (CID 10764856) is 2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide is COc1ccccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2cc(C)cc3c2N(CC3)C1=O.
What is the InChIKey of 2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide?
The InChIKey is SJCAKQQKKYOKDO-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-16-14-18-12-13-29-23(18)20(15-16)22(17-8-4-3-5-9-17)27-24(26(29)31)28-25(30)19-10-6-7-11-21(19)32-2/h3-11,14-15,24H,12-13H2,1-2H3,(H,28,30)/t24-/m0/s1.
What are the key properties of 2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide?
2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide has a molecular weight of 425.49 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide is sourced from PubChem (CID 10764856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).