2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide

C17H20N2O3 — CID 87529599

IUPAC2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide
SMILESCCC(C)CN(O)C(=O)c1ccc2cc(C(N)=O)ccc2c1
InChIInChI=1S/C17H20N2O3/c1-3-11(2)10-19(22)17(21)15-7-5-12-8-14(16(18)20)6-4-13(12)9-15/h4-9,11,22H,3,10H2,1-2H3,(H2,18,20)
InChIKeyKRFLMRNGQLGNQU-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.82
Rot. Bonds5

About 2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide

2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide (PubChem CID 87529599) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide
PubChem CID87529599
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide
SMILESCCC(C)CN(O)C(=O)c1ccc2cc(C(N)=O)ccc2c1
InChIInChI=1S/C17H20N2O3/c1-3-11(2)10-19(22)17(21)15-7-5-12-8-14(16(18)20)6-4-13(12)9-15/h4-9,11,22H,3,10H2,1-2H3,(H2,18,20)
InChIKeyKRFLMRNGQLGNQU-UHFFFAOYSA-N
XLogP2.82
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide
CID 25256226
2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide
CID 25256224
2-N-[(3,5-difluorophenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide
CID 87529553
N-(3-amino-2-methylpropyl)-N-methylnaphthalene-2-carboxamide
CID 54992388
3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43437024
3-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295327
2-methylbutyl naphthalene-2-carboxylate
CID 21339899
N-ethyl-4-hydrazinyl-N-(2-methylbutyl)benzamide
CID 79470275
3-hydroxynaphthalene-2,7-dicarboxamide;propane
CID 91265869
N-(2-amino-2-oxoethyl)-N-propan-2-ylnaphthalene-2-carboxamide
CID 4801962
[(2S)-2-methylbutyl] 6-hydroxynaphthalene-2-carboxylate
CID 54031748
tetracene-2-carboxamide;hydrobromide
CID 22400124

Frequently Asked Questions

What is the IUPAC name of 2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide?
The IUPAC name of 2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide (CID 87529599) is 2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide.
What is the SMILES notation for 2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide?
The canonical SMILES for 2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide is CCC(C)CN(O)C(=O)c1ccc2cc(C(N)=O)ccc2c1.
What is the InChIKey of 2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide?
The InChIKey is KRFLMRNGQLGNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-11(2)10-19(22)17(21)15-7-5-12-8-14(16(18)20)6-4-13(12)9-15/h4-9,11,22H,3,10H2,1-2H3,(H2,18,20).
What are the key properties of 2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide?
2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide is sourced from PubChem (CID 87529599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).