N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-4-yl)benzamide

C18H18N2O3 — CID 126741209

IUPACN-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-4-yl)benzamide
SMILESO=C(NN1C(=O)C2C3CCC(C4CC43)C2C1=O)c1ccccc1
InChIInChI=1S/C18H18N2O3/c21-16(9-4-2-1-3-5-9)19-20-17(22)14-10-6-7-11(13-8-12(10)13)15(14)18(20)23/h1-5,10-15H,6-8H2,(H,19,21)
InChIKeyINOSNFUOXLBWAW-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.61
Rot. Bonds2

About N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-4-yl)benzamide

N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-4-yl)benzamide (PubChem CID 126741209) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-4-yl)benzamide.

Molecular Properties

Compound NameN-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-4-yl)benzamide
PubChem CID126741209
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-4-yl)benzamide
SMILESO=C(NN1C(=O)C2C3CCC(C4CC43)C2C1=O)c1ccccc1
InChIInChI=1S/C18H18N2O3/c21-16(9-4-2-1-3-5-9)19-20-17(22)14-10-6-7-11(13-8-12(10)13)15(14)18(20)23/h1-5,10-15H,6-8H2,(H,19,21)
InChIKeyINOSNFUOXLBWAW-UHFFFAOYSA-N
XLogP1.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide
CID 124536832
N-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide
CID 2842566
4-chloro-N-[(1R,2S,6S,7R,8S,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]benzamide
CID 98214634
4-bromo-N-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 98119767
4-chloro-N-[(1R,2S,6S,7S,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 7005201
4-chloro-N-[(2S,6R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 11393741
4-chloro-N-[(1S,2S,6R,7R,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 21174208
N-[(1R,2R,6S,7S,8R,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]pyridine-4-carboxamide
CID 21311409
4-chloro-N-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 98044767
3-chloro-N-[(6R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 129016583
N-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]pyridine-3-carboxamide
CID 124754934
N-[(1S,2R,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]pyridine-3-carboxamide
CID 98051227

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-4-yl)benzamide?
The IUPAC name of N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-4-yl)benzamide (CID 126741209) is N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-4-yl)benzamide.
What is the SMILES notation for N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-4-yl)benzamide?
The canonical SMILES for N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-4-yl)benzamide is O=C(NN1C(=O)C2C3CCC(C4CC43)C2C1=O)c1ccccc1.
What is the InChIKey of N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-4-yl)benzamide?
The InChIKey is INOSNFUOXLBWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-16(9-4-2-1-3-5-9)19-20-17(22)14-10-6-7-11(13-8-12(10)13)15(14)18(20)23/h1-5,10-15H,6-8H2,(H,19,21).
What are the key properties of N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-4-yl)benzamide?
N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-4-yl)benzamide has a molecular weight of 310.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-4-yl)benzamide is sourced from PubChem (CID 126741209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).