N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)cyclopropanecarboxamide

C22H18N2O3 — CID 3111662

IUPACN-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)cyclopropanecarboxamide
SMILESO=C(NN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O)C1CC1
InChIInChI=1S/C22H18N2O3/c25-20(11-9-10-11)23-24-21(26)18-16-12-5-1-2-6-13(12)17(19(18)22(24)27)15-8-4-3-7-14(15)16/h1-8,11,16-19H,9-10H2,(H,23,25)
InChIKeyLMMKUHMQSOHSEB-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.32
Rot. Bonds2

About N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)cyclopropanecarboxamide

N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)cyclopropanecarboxamide (PubChem CID 3111662) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)cyclopropanecarboxamide
PubChem CID3111662
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)cyclopropanecarboxamide
SMILESO=C(NN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O)C1CC1
InChIInChI=1S/C22H18N2O3/c25-20(11-9-10-11)23-24-21(26)18-16-12-5-1-2-6-13(12)17(19(18)22(24)27)15-8-4-3-7-14(15)16/h1-8,11,16-19H,9-10H2,(H,23,25)
InChIKeyLMMKUHMQSOHSEB-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.32
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-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-2-phenylacetamide
CID 2885026
9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboximide
CID 601392
9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic dihydrazide
CID 275807
2-(2,5-Dioxo-1-pyrrolidinyl)-3a,4,9,9a-tetrahydro-4,9[1',2']-benzeno-1H-benz[f]isoindole-1,3(2H)-dione
CID 2952807
N-(2-{16,18-dioxo-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}ethyl)acetamide
CID 2960427
N-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-methylbenzamide (non-preferred name)
CID 3111659
N-((9R,10S,11S,15R)-12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)benzamide
CID 12004644
(9R,10S,11S,15R)-13-methyl-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione
CID 16411222
Benzo[f]isoindol-1,3(1H,3H)-dione, 3a,4,9,9a-tetrahydro-4,9-O-benzeno-2-hexyl-
CID 601368
17-Octyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 122366667
1-Methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 3136545
N-acetyl-N-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]acetamide
CID 4555740

Frequently Asked Questions

What is the IUPAC name of N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)cyclopropanecarboxamide?
The IUPAC name of N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)cyclopropanecarboxamide (CID 3111662) is N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)cyclopropanecarboxamide is O=C(NN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O)C1CC1.
What is the InChIKey of N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)cyclopropanecarboxamide?
The InChIKey is LMMKUHMQSOHSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-20(11-9-10-11)23-24-21(26)18-16-12-5-1-2-6-13(12)17(19(18)22(24)27)15-8-4-3-7-14(15)16/h1-8,11,16-19H,9-10H2,(H,23,25).
What are the key properties of N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)cyclopropanecarboxamide?
N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)cyclopropanecarboxamide has a molecular weight of 358.40 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)cyclopropanecarboxamide is sourced from PubChem (CID 3111662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).