N-(9-methyl-3-oxo-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)formamide

C19H18N2O2 — CID 21420506

IUPACN-(9-methyl-3-oxo-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)formamide
SMILESCc1ccc2c(c1)C1CC(NC=O)C(=O)N1c1ccccc1C2
InChIInChI=1S/C19H18N2O2/c1-12-6-7-13-9-14-4-2-3-5-17(14)21-18(15(13)8-12)10-16(19(21)23)20-11-22/h2-8,11,16,18H,9-10H2,1H3,(H,20,22)
InChIKeyIJYIJYWWTBXRIO-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.49
Rot. Bonds2

About N-(9-methyl-3-oxo-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)formamide

N-(9-methyl-3-oxo-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)formamide (PubChem CID 21420506) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(9-methyl-3-oxo-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)formamide.

Molecular Properties

Compound NameN-(9-methyl-3-oxo-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)formamide
PubChem CID21420506
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-(9-methyl-3-oxo-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)formamide
SMILESCc1ccc2c(c1)C1CC(NC=O)C(=O)N1c1ccccc1C2
InChIInChI=1S/C19H18N2O2/c1-12-6-7-13-9-14-4-2-3-5-17(14)21-18(15(13)8-12)10-16(19(21)23)20-11-22/h2-8,11,16,18H,9-10H2,1H3,(H,20,22)
InChIKeyIJYIJYWWTBXRIO-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-3-oxo-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)formamide?
The IUPAC name of N-(9-methyl-3-oxo-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)formamide (CID 21420506) is N-(9-methyl-3-oxo-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)formamide.
What is the SMILES notation for N-(9-methyl-3-oxo-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)formamide?
The canonical SMILES for N-(9-methyl-3-oxo-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)formamide is Cc1ccc2c(c1)C1CC(NC=O)C(=O)N1c1ccccc1C2.
What is the InChIKey of N-(9-methyl-3-oxo-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)formamide?
The InChIKey is IJYIJYWWTBXRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-6-7-13-9-14-4-2-3-5-17(14)21-18(15(13)8-12)10-16(19(21)23)20-11-22/h2-8,11,16,18H,9-10H2,1H3,(H,20,22).
What are the key properties of N-(9-methyl-3-oxo-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)formamide?
N-(9-methyl-3-oxo-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)formamide has a molecular weight of 306.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-3-oxo-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)formamide is sourced from PubChem (CID 21420506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).