6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide

C19H21N3O3 — CID 18769145

IUPAC6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide
SMILESCONC(=O)c1ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc2c1
InChIInChI=1S/C19H21N3O3/c1-12(2)19(24,17-10-20-11-21-17)16-7-6-13-8-15(18(23)22-25-3)5-4-14(13)9-16/h4-12,24H,1-3H3,(H,20,21)(H,22,23)
InChIKeyMSVRYMQSVFKDTB-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.75
Rot. Bonds5

About 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide

6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide (PubChem CID 18769145) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide
PubChem CID18769145
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide
SMILESCONC(=O)c1ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc2c1
InChIInChI=1S/C19H21N3O3/c1-12(2)19(24,17-10-20-11-21-17)16-7-6-13-8-15(18(23)22-25-3)5-4-14(13)9-16/h4-12,24H,1-3H3,(H,20,21)(H,22,23)
InChIKeyMSVRYMQSVFKDTB-UHFFFAOYSA-N
XLogP2.75
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide?
The IUPAC name of 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide (CID 18769145) is 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide?
The canonical SMILES for 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide is CONC(=O)c1ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc2c1.
What is the InChIKey of 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide?
The InChIKey is MSVRYMQSVFKDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(2)19(24,17-10-20-11-21-17)16-7-6-13-8-15(18(23)22-25-3)5-4-14(13)9-16/h4-12,24H,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide?
6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 18769145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).