N-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C24H20N2O4 — CID 23992759

IUPACN-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC1(C(=O)Nc2ccc([N+](=O)[O-])cc2O)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C24H20N2O4/c1-24(23(28)25-20-11-10-14(26(29)30)12-21(20)27)13-19-15-6-2-4-8-17(15)22(24)18-9-5-3-7-16(18)19/h2-12,19,22,27H,13H2,1H3,(H,25,28)
InChIKeyRWELAKLWFPYJLK-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.93
Rot. Bonds3

About N-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

N-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 23992759) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID23992759
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC NameN-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC1(C(=O)Nc2ccc([N+](=O)[O-])cc2O)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C24H20N2O4/c1-24(23(28)25-20-11-10-14(26(29)30)12-21(20)27)13-19-15-6-2-4-8-17(15)22(24)18-9-5-3-7-16(18)19/h2-12,19,22,27H,13H2,1H3,(H,25,28)
InChIKeyRWELAKLWFPYJLK-UHFFFAOYSA-N
XLogP4.93
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide 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 N-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 23992759) is N-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is CC1(C(=O)Nc2ccc([N+](=O)[O-])cc2O)CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is RWELAKLWFPYJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-24(23(28)25-20-11-10-14(26(29)30)12-21(20)27)13-19-15-6-2-4-8-17(15)22(24)18-9-5-3-7-16(18)19/h2-12,19,22,27H,13H2,1H3,(H,25,28).
What are the key properties of N-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
N-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 23992759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).