15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid

C19H17NO3 — CID 59654389

IUPAC15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C19H17NO3/c1-11(21)20-19(18(22)23)10-16-12-6-2-4-8-14(12)17(19)15-9-5-3-7-13(15)16/h2-9,16-17H,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyOVXHMUSMXJAGKN-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.63
Rot. Bonds2

About 15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid

15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid (PubChem CID 59654389) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid.

Molecular Properties

Compound Name15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
PubChem CID59654389
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C19H17NO3/c1-11(21)20-19(18(22)23)10-16-12-6-2-4-8-14(12)17(19)15-9-5-3-7-13(15)16/h2-9,16-17H,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyOVXHMUSMXJAGKN-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
The IUPAC name of 15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid (CID 59654389) is 15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid.
What is the SMILES notation for 15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
The canonical SMILES for 15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid is CC(=O)NC1(C(=O)O)CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
The InChIKey is OVXHMUSMXJAGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-11(21)20-19(18(22)23)10-16-12-6-2-4-8-14(12)17(19)15-9-5-3-7-13(15)16/h2-9,16-17H,10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid is sourced from PubChem (CID 59654389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).