N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C19H21NO — CID 42946523

IUPACN-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCCc3ccccc32)c1
InChIInChI=1S/C19H21NO/c1-13-10-11-14(2)18(12-13)20-19(21)17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3,(H,20,21)
InChIKeySGVFXFAOJWUQMU-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.36
Rot. Bonds2

About N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 42946523) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID42946523
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCCc3ccccc32)c1
InChIInChI=1S/C19H21NO/c1-13-10-11-14(2)18(12-13)20-19(21)17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3,(H,20,21)
InChIKeySGVFXFAOJWUQMU-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 42946523) is N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is Cc1ccc(C)c(NC(=O)C2CCCc3ccccc32)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is SGVFXFAOJWUQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13-10-11-14(2)18(12-13)20-19(21)17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3,(H,20,21).
What are the key properties of N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 42946523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).