1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide

C18H20N2O — CID 115418746

IUPAC1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCC1CCC(Nc2ccccc2)(C(N)=O)c2ccccc21
InChIInChI=1S/C18H20N2O/c1-13-11-12-18(17(19)21,16-10-6-5-9-15(13)16)20-14-7-3-2-4-8-14/h2-10,13,20H,11-12H2,1H3,(H2,19,21)
InChIKeyZSHLNXPQZOELFD-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.38
Rot. Bonds3

About 1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide

1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide (PubChem CID 115418746) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide.

Molecular Properties

Compound Name1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
PubChem CID115418746
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCC1CCC(Nc2ccccc2)(C(N)=O)c2ccccc21
InChIInChI=1S/C18H20N2O/c1-13-11-12-18(17(19)21,16-10-6-5-9-15(13)16)20-14-7-3-2-4-8-14/h2-10,13,20H,11-12H2,1H3,(H2,19,21)
InChIKeyZSHLNXPQZOELFD-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The IUPAC name of 1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide (CID 115418746) is 1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide.
What is the SMILES notation for 1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The canonical SMILES for 1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide is CC1CCC(Nc2ccccc2)(C(N)=O)c2ccccc21.
What is the InChIKey of 1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The InChIKey is ZSHLNXPQZOELFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-11-12-18(17(19)21,16-10-6-5-9-15(13)16)20-14-7-3-2-4-8-14/h2-10,13,20H,11-12H2,1H3,(H2,19,21).
What are the key properties of 1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide is sourced from PubChem (CID 115418746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).