2-[(1R)-2-hydroxy-2-methyl-1-naphthalen-2-ylpropyl]propanediamide

C17H20N2O3 — CID 141117162

IUPAC2-[(1R)-2-hydroxy-2-methyl-1-naphthalen-2-ylpropyl]propanediamide
SMILESCC(C)(O)[C@@H](c1ccc2ccccc2c1)C(C(N)=O)C(N)=O
InChIInChI=1S/C17H20N2O3/c1-17(2,22)14(13(15(18)20)16(19)21)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13-14,22H,1-2H3,(H2,18,20)(H2,19,21)/t14-/m0/s1
InChIKeyUYSABQRHRIOBFV-AWEZNQCLSA-N
MW300.36 g/mol
LogP1.28
Rot. Bonds5

About 2-[(1R)-2-hydroxy-2-methyl-1-naphthalen-2-ylpropyl]propanediamide

2-[(1R)-2-hydroxy-2-methyl-1-naphthalen-2-ylpropyl]propanediamide (PubChem CID 141117162) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[(1R)-2-hydroxy-2-methyl-1-naphthalen-2-ylpropyl]propanediamide.

Molecular Properties

Compound Name2-[(1R)-2-hydroxy-2-methyl-1-naphthalen-2-ylpropyl]propanediamide
PubChem CID141117162
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[(1R)-2-hydroxy-2-methyl-1-naphthalen-2-ylpropyl]propanediamide
SMILESCC(C)(O)[C@@H](c1ccc2ccccc2c1)C(C(N)=O)C(N)=O
InChIInChI=1S/C17H20N2O3/c1-17(2,22)14(13(15(18)20)16(19)21)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13-14,22H,1-2H3,(H2,18,20)(H2,19,21)/t14-/m0/s1
InChIKeyUYSABQRHRIOBFV-AWEZNQCLSA-N
XLogP1.28
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-naphthalen-2-ylpropanamide
CID 101175106
(2R)-2-hydroxy-2-naphthalen-2-ylacetamide
CID 11356121
2-aminooxy-2-naphthalen-2-ylacetamide
CID 69280551
3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride
CID 70202945
dinaphthalen-2-ylmethyl carbamate
CID 173097882
dimethyl 2-[(1R)-1-naphthalen-2-ylethyl]propanedioate
CID 101238561
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
(2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol
CID 66807936
2-(cyclopropylmethylamino)-2-naphthalen-2-ylacetamide
CID 60995245
2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid
CID 57376493
methyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate
CID 162623015
2-naphthalen-2-ylpropanehydrazide
CID 116843954

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-hydroxy-2-methyl-1-naphthalen-2-ylpropyl]propanediamide?
The IUPAC name of 2-[(1R)-2-hydroxy-2-methyl-1-naphthalen-2-ylpropyl]propanediamide (CID 141117162) is 2-[(1R)-2-hydroxy-2-methyl-1-naphthalen-2-ylpropyl]propanediamide.
What is the SMILES notation for 2-[(1R)-2-hydroxy-2-methyl-1-naphthalen-2-ylpropyl]propanediamide?
The canonical SMILES for 2-[(1R)-2-hydroxy-2-methyl-1-naphthalen-2-ylpropyl]propanediamide is CC(C)(O)[C@@H](c1ccc2ccccc2c1)C(C(N)=O)C(N)=O.
What is the InChIKey of 2-[(1R)-2-hydroxy-2-methyl-1-naphthalen-2-ylpropyl]propanediamide?
The InChIKey is UYSABQRHRIOBFV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-17(2,22)14(13(15(18)20)16(19)21)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13-14,22H,1-2H3,(H2,18,20)(H2,19,21)/t14-/m0/s1.
What are the key properties of 2-[(1R)-2-hydroxy-2-methyl-1-naphthalen-2-ylpropyl]propanediamide?
2-[(1R)-2-hydroxy-2-methyl-1-naphthalen-2-ylpropyl]propanediamide has a molecular weight of 300.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-hydroxy-2-methyl-1-naphthalen-2-ylpropyl]propanediamide is sourced from PubChem (CID 141117162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).