6-[4-(2-amino-2-methylpropyl)phenyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C21H26N2O2 — CID 88581050

IUPAC6-[4-(2-amino-2-methylpropyl)phenyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)(N)Cc1ccc(C2CCc3cc(C(=O)NO)ccc3C2)cc1
InChIInChI=1S/C21H26N2O2/c1-21(2,22)13-14-3-5-15(6-4-14)16-7-8-18-12-19(20(24)23-25)10-9-17(18)11-16/h3-6,9-10,12,16,25H,7-8,11,13,22H2,1-2H3,(H,23,24)
InChIKeyVLPMXTQYZNRYDC-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.36
Rot. Bonds4

About 6-[4-(2-amino-2-methylpropyl)phenyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

6-[4-(2-amino-2-methylpropyl)phenyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 88581050) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 6-[4-(2-amino-2-methylpropyl)phenyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-[4-(2-amino-2-methylpropyl)phenyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID88581050
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name6-[4-(2-amino-2-methylpropyl)phenyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)(N)Cc1ccc(C2CCc3cc(C(=O)NO)ccc3C2)cc1
InChIInChI=1S/C21H26N2O2/c1-21(2,22)13-14-3-5-15(6-4-14)16-7-8-18-12-19(20(24)23-25)10-9-17(18)11-16/h3-6,9-10,12,16,25H,7-8,11,13,22H2,1-2H3,(H,23,24)
InChIKeyVLPMXTQYZNRYDC-UHFFFAOYSA-N
XLogP3.36
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.36
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-amino-2-methylpropyl)phenyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 6-[4-(2-amino-2-methylpropyl)phenyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 88581050) is 6-[4-(2-amino-2-methylpropyl)phenyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 6-[4-(2-amino-2-methylpropyl)phenyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 6-[4-(2-amino-2-methylpropyl)phenyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CC(C)(N)Cc1ccc(C2CCc3cc(C(=O)NO)ccc3C2)cc1.
What is the InChIKey of 6-[4-(2-amino-2-methylpropyl)phenyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is VLPMXTQYZNRYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-21(2,22)13-14-3-5-15(6-4-14)16-7-8-18-12-19(20(24)23-25)10-9-17(18)11-16/h3-6,9-10,12,16,25H,7-8,11,13,22H2,1-2H3,(H,23,24).
What are the key properties of 6-[4-(2-amino-2-methylpropyl)phenyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
6-[4-(2-amino-2-methylpropyl)phenyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-amino-2-methylpropyl)phenyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 88581050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).