N-[(1S,9R,10R)-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-yl]benzamide

C23H24N2O2 — CID 90769482

IUPACN-[(1S,9R,10R)-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-yl]benzamide
SMILESO=C1CC[C@H]2[C@H]3Cc4cccc(NC(=O)c5ccccc5)c4[C@@]2(CCN3)C1
InChIInChI=1S/C23H24N2O2/c26-17-9-10-18-20-13-16-7-4-8-19(21(16)23(18,14-17)11-12-24-20)25-22(27)15-5-2-1-3-6-15/h1-8,18,20,24H,9-14H2,(H,25,27)/t18-,20+,23-/m0/s1
InChIKeyAPVYDQUXTKDJRW-NOXFTYBFSA-N
MW360.46 g/mol
LogP3.46
Rot. Bonds2

About N-[(1S,9R,10R)-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-yl]benzamide

N-[(1S,9R,10R)-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-yl]benzamide (PubChem CID 90769482) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(1S,9R,10R)-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-yl]benzamide.

Molecular Properties

Compound NameN-[(1S,9R,10R)-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-yl]benzamide
PubChem CID90769482
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-[(1S,9R,10R)-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-yl]benzamide
SMILESO=C1CC[C@H]2[C@H]3Cc4cccc(NC(=O)c5ccccc5)c4[C@@]2(CCN3)C1
InChIInChI=1S/C23H24N2O2/c26-17-9-10-18-20-13-16-7-4-8-19(21(16)23(18,14-17)11-12-24-20)25-22(27)15-5-2-1-3-6-15/h1-8,18,20,24H,9-14H2,(H,25,27)/t18-,20+,23-/m0/s1
InChIKeyAPVYDQUXTKDJRW-NOXFTYBFSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,9R,10R)-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-6-sulfinate
CID 174694724
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 70303028
(1S,9R,10R)-6-bromo-3-hydroxy-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one
CID 22217038
(1S,9R,10R)-3,4-dimethoxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-6-carbaldehyde
CID 174627057
(2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120624536
N-(9H-carbazol-1-yl)benzamide
CID 138533611
(1S,9R,10R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxylic acid
CID 141296638
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;prop-2-enamide
CID 157253048
N-(2-benzamidophenyl)piperidine-3-carboxamide;hydrochloride
CID 119282577
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;hydrate;hydrochloride
CID 141299651
2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442
(4R,4aR,7R,7aR,12bS)-1,2,3,4,4a,5,6,7,7a,13-decahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CID 129386680

Frequently Asked Questions

What is the IUPAC name of N-[(1S,9R,10R)-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-yl]benzamide?
The IUPAC name of N-[(1S,9R,10R)-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-yl]benzamide (CID 90769482) is N-[(1S,9R,10R)-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-yl]benzamide.
What is the SMILES notation for N-[(1S,9R,10R)-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-yl]benzamide?
The canonical SMILES for N-[(1S,9R,10R)-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-yl]benzamide is O=C1CC[C@H]2[C@H]3Cc4cccc(NC(=O)c5ccccc5)c4[C@@]2(CCN3)C1.
What is the InChIKey of N-[(1S,9R,10R)-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-yl]benzamide?
The InChIKey is APVYDQUXTKDJRW-NOXFTYBFSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-17-9-10-18-20-13-16-7-4-8-19(21(16)23(18,14-17)11-12-24-20)25-22(27)15-5-2-1-3-6-15/h1-8,18,20,24H,9-14H2,(H,25,27)/t18-,20+,23-/m0/s1.
What are the key properties of N-[(1S,9R,10R)-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-yl]benzamide?
N-[(1S,9R,10R)-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-yl]benzamide has a molecular weight of 360.46 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,9R,10R)-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-yl]benzamide is sourced from PubChem (CID 90769482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).