4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide

C16H19NO3 — CID 135059721

IUPAC4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide
SMILESCON(C)C(=O)CCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO3/c1-17(20-2)16(19)10-9-15(18)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,15,18H,9-10H2,1-2H3
InChIKeyPMBLRTNPRXPVKL-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.67
Rot. Bonds5

About 4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide

4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide (PubChem CID 135059721) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide.

Molecular Properties

Compound Name4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide
PubChem CID135059721
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide
SMILESCON(C)C(=O)CCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO3/c1-17(20-2)16(19)10-9-15(18)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,15,18H,9-10H2,1-2H3
InChIKeyPMBLRTNPRXPVKL-UHFFFAOYSA-N
XLogP2.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361476
methyl (3R)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361475
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide
CID 125463943
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol
CID 64565521
(1S)-1-naphthalen-2-ylbutane-1,4-diol
CID 163077127
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
(3R)-3-(2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yl)-N-methoxy-N-methyl-3-naphthalen-2-ylpropanamide
CID 122228649
N,8-dihydroxy-8-naphthalen-2-yloctanamide
CID 11044829
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 111112240
2-(2,2-dimethylhydrazinyl)-1-naphthalen-2-ylethanol
CID 83014779

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide?
The IUPAC name of 4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide (CID 135059721) is 4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide.
What is the SMILES notation for 4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide?
The canonical SMILES for 4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide is CON(C)C(=O)CCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide?
The InChIKey is PMBLRTNPRXPVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-17(20-2)16(19)10-9-15(18)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,15,18H,9-10H2,1-2H3.
What are the key properties of 4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide?
4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide has a molecular weight of 273.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide is sourced from PubChem (CID 135059721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).