N-(2,3-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C26H25NO3 — CID 23595977

IUPACN-(2,3-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCOc1cccc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)c1OC
InChIInChI=1S/C26H25NO3/c1-26(25(28)27-21-13-8-14-22(29-2)24(21)30-3)15-20-16-9-4-6-11-18(16)23(26)19-12-7-5-10-17(19)20/h4-14,20,23H,15H2,1-3H3,(H,27,28)
InChIKeyMGZUUFYFSUTOMX-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.33
Rot. Bonds4

About N-(2,3-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

N-(2,3-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 23595977) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(2,3-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID23595977
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC NameN-(2,3-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCOc1cccc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)c1OC
InChIInChI=1S/C26H25NO3/c1-26(25(28)27-21-13-8-14-22(29-2)24(21)30-3)15-20-16-9-4-6-11-18(16)23(26)19-12-7-5-10-17(19)20/h4-14,20,23H,15H2,1-3H3,(H,27,28)
InChIKeyMGZUUFYFSUTOMX-UHFFFAOYSA-N
XLogP5.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dimethoxyphenyl)-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

Related Compounds

(15R)-N-(2,4-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1298429
(15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1101019
(15S)-N-(3,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1331415
(15R)-N-(4-chlorophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1101014
15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23595987
N-[4-(6-methoxynaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 10006257
N-[5-(6-methoxynaphthalen-1-yl)-1H-imidazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 10368117
N-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 23596193
15-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596040
N-[4-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 10053809
N-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596200
N-(2,3-dimethoxyphenyl)-2-hydroxybenzamide
CID 90715346

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of N-(2,3-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 23595977) is N-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for N-(2,3-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is COc1cccc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)c1OC.
What is the InChIKey of N-(2,3-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is MGZUUFYFSUTOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-26(25(28)27-21-13-8-14-22(29-2)24(21)30-3)15-20-16-9-4-6-11-18(16)23(26)19-12-7-5-10-17(19)20/h4-14,20,23H,15H2,1-3H3,(H,27,28).
What are the key properties of N-(2,3-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
N-(2,3-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 23595977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).