N-(2-formylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C20H21NO2 — CID 88954197

IUPACN-(2-formylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCc1cc2c(cc1C)CC(C(=O)Nc1ccccc1C=O)CC2
InChIInChI=1S/C20H21NO2/c1-13-9-15-7-8-16(11-18(15)10-14(13)2)20(23)21-19-6-4-3-5-17(19)12-22/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,21,23)
InChIKeyDFMWFSPUSJESME-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.86
Rot. Bonds3

About N-(2-formylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(2-formylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 88954197) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(2-formylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-formylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID88954197
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-(2-formylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCc1cc2c(cc1C)CC(C(=O)Nc1ccccc1C=O)CC2
InChIInChI=1S/C20H21NO2/c1-13-9-15-7-8-16(11-18(15)10-14(13)2)20(23)21-19-6-4-3-5-17(19)12-22/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,21,23)
InChIKeyDFMWFSPUSJESME-UHFFFAOYSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-formylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-formylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 88954197) is N-(2-formylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-formylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-formylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide is Cc1cc2c(cc1C)CC(C(=O)Nc1ccccc1C=O)CC2.
What is the InChIKey of N-(2-formylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is DFMWFSPUSJESME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-13-9-15-7-8-16(11-18(15)10-14(13)2)20(23)21-19-6-4-3-5-17(19)12-22/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,21,23).
What are the key properties of N-(2-formylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(2-formylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 88954197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).