ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C14H21NO — CID 143214414

IUPACethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC.CNC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C12H15NO.C2H6/c1-13-12(14)11-7-6-9-4-2-3-5-10(9)8-11;1-2/h2-5,11H,6-8H2,1H3,(H,13,14);1-2H3
InChIKeyKQMHGSSVGDNSKZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.56
Rot. Bonds1

About ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide

ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 143214414) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Nameethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID143214414
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nameethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC.CNC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C12H15NO.C2H6/c1-13-12(14)11-7-6-9-4-2-3-5-10(9)8-11;1-2/h2-5,11H,6-8H2,1H3,(H,13,14);1-2H3
InChIKeyKQMHGSSVGDNSKZ-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 143214414) is ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC.CNC(=O)C1CCc2ccccc2C1.
What is the InChIKey of ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is KQMHGSSVGDNSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C2H6/c1-13-12(14)11-7-6-9-4-2-3-5-10(9)8-11;1-2/h2-5,11H,6-8H2,1H3,(H,13,14);1-2H3.
What are the key properties of ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 219.33 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 143214414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).