4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide

C21H22N2O2 — CID 113096656

IUPAC4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCc3c(c4ccccc4n3C)C2)cc1
InChIInChI=1S/C21H22N2O2/c1-23-19-6-4-3-5-17(19)18-13-15(9-12-20(18)23)22-21(24)14-7-10-16(25-2)11-8-14/h3-8,10-11,15H,9,12-13H2,1-2H3,(H,22,24)
InChIKeyLCYAJZSMFHIUBC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.47
Rot. Bonds3

About 4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide

4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide (PubChem CID 113096656) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide
PubChem CID113096656
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCc3c(c4ccccc4n3C)C2)cc1
InChIInChI=1S/C21H22N2O2/c1-23-19-6-4-3-5-17(19)18-13-15(9-12-20(18)23)22-21(24)14-7-10-16(25-2)11-8-14/h3-8,10-11,15H,9,12-13H2,1-2H3,(H,22,24)
InChIKeyLCYAJZSMFHIUBC-UHFFFAOYSA-N
XLogP3.47
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide
CID 113096632
N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide
CID 113096664
methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613051
2-[(3R)-3-benzamido-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66812101
N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanesulfonamide
CID 113096702
7-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
CID 84631533
9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 84613056
ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol
CID 145187913
2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide
CID 113096741
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide
CID 66663510
(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanol
CID 140999060

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide?
The IUPAC name of 4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide (CID 113096656) is 4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide is COc1ccc(C(=O)NC2CCc3c(c4ccccc4n3C)C2)cc1.
What is the InChIKey of 4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide?
The InChIKey is LCYAJZSMFHIUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-23-19-6-4-3-5-17(19)18-13-15(9-12-20(18)23)22-21(24)14-7-10-16(25-2)11-8-14/h3-8,10-11,15H,9,12-13H2,1-2H3,(H,22,24).
What are the key properties of 4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide?
4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide has a molecular weight of 334.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide is sourced from PubChem (CID 113096656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).