N-(5-hydroxy-4-methoxy-8-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-10-yl)formamide

C17H18N2O3 — CID 145236806

IUPACN-(5-hydroxy-4-methoxy-8-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-10-yl)formamide
SMILESCOc1cc2c(cc1O)NCC(NC=O)Cc1ccccc1-2
InChIInChI=1S/C17H18N2O3/c1-22-17-7-14-13-5-3-2-4-11(13)6-12(19-10-20)9-18-15(14)8-16(17)21/h2-5,7-8,10,12,18,21H,6,9H2,1H3,(H,19,20)
InChIKeyKIFNDVXJNAPYPB-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.15
Rot. Bonds3

About N-(5-hydroxy-4-methoxy-8-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-10-yl)formamide

N-(5-hydroxy-4-methoxy-8-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-10-yl)formamide (PubChem CID 145236806) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(5-hydroxy-4-methoxy-8-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-10-yl)formamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methoxy-8-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-10-yl)formamide
PubChem CID145236806
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(5-hydroxy-4-methoxy-8-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-10-yl)formamide
SMILESCOc1cc2c(cc1O)NCC(NC=O)Cc1ccccc1-2
InChIInChI=1S/C17H18N2O3/c1-22-17-7-14-13-5-3-2-4-11(13)6-12(19-10-20)9-18-15(14)8-16(17)21/h2-5,7-8,10,12,18,21H,6,9H2,1H3,(H,19,20)
InChIKeyKIFNDVXJNAPYPB-UHFFFAOYSA-N
XLogP2.15
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methoxy-8-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-10-yl)formamide?
The IUPAC name of N-(5-hydroxy-4-methoxy-8-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-10-yl)formamide (CID 145236806) is N-(5-hydroxy-4-methoxy-8-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-10-yl)formamide.
What is the SMILES notation for N-(5-hydroxy-4-methoxy-8-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-10-yl)formamide?
The canonical SMILES for N-(5-hydroxy-4-methoxy-8-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-10-yl)formamide is COc1cc2c(cc1O)NCC(NC=O)Cc1ccccc1-2.
What is the InChIKey of N-(5-hydroxy-4-methoxy-8-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-10-yl)formamide?
The InChIKey is KIFNDVXJNAPYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-22-17-7-14-13-5-3-2-4-11(13)6-12(19-10-20)9-18-15(14)8-16(17)21/h2-5,7-8,10,12,18,21H,6,9H2,1H3,(H,19,20).
What are the key properties of N-(5-hydroxy-4-methoxy-8-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-10-yl)formamide?
N-(5-hydroxy-4-methoxy-8-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-10-yl)formamide has a molecular weight of 298.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methoxy-8-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-10-yl)formamide is sourced from PubChem (CID 145236806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).