N-butyl-4-methyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide

C19H22N2O — CID 15432629

IUPACN-butyl-4-methyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide
SMILESCCCCNC(=O)C1N=C(C)C1c1cccc2ccccc12
InChIInChI=1S/C19H22N2O/c1-3-4-12-20-19(22)18-17(13(2)21-18)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,17-18H,3-4,12H2,1-2H3,(H,20,22)
InChIKeyOETRDJKLCNYFFS-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.68
Rot. Bonds5

About N-butyl-4-methyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide

N-butyl-4-methyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide (PubChem CID 15432629) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-butyl-4-methyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-methyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide
PubChem CID15432629
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-butyl-4-methyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide
SMILESCCCCNC(=O)C1N=C(C)C1c1cccc2ccccc12
InChIInChI=1S/C19H22N2O/c1-3-4-12-20-19(22)18-17(13(2)21-18)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,17-18H,3-4,12H2,1-2H3,(H,20,22)
InChIKeyOETRDJKLCNYFFS-UHFFFAOYSA-N
XLogP3.68
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide?
The IUPAC name of N-butyl-4-methyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide (CID 15432629) is N-butyl-4-methyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide.
What is the SMILES notation for N-butyl-4-methyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide?
The canonical SMILES for N-butyl-4-methyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide is CCCCNC(=O)C1N=C(C)C1c1cccc2ccccc12.
What is the InChIKey of N-butyl-4-methyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide?
The InChIKey is OETRDJKLCNYFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-3-4-12-20-19(22)18-17(13(2)21-18)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,17-18H,3-4,12H2,1-2H3,(H,20,22).
What are the key properties of N-butyl-4-methyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide?
N-butyl-4-methyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide is sourced from PubChem (CID 15432629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).