(2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide

C21H20N2O3 — CID 102506983

IUPAC(2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide
SMILESC[C@](Cc1ccccc1)(C(=O)NO)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H20N2O3/c1-21(20(25)23-26,14-15-8-3-2-4-9-15)19(24)22-18-13-7-11-16-10-5-6-12-17(16)18/h2-13,26H,14H2,1H3,(H,22,24)(H,23,25)/t21-/m1/s1
InChIKeyNIDVHWYOCOCSER-OAQYLSRUSA-N
MW348.40 g/mol
LogP3.53
Rot. Bonds5

About (2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide

(2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide (PubChem CID 102506983) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide.

Molecular Properties

Compound Name(2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide
PubChem CID102506983
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide
SMILESC[C@](Cc1ccccc1)(C(=O)NO)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H20N2O3/c1-21(20(25)23-26,14-15-8-3-2-4-9-15)19(24)22-18-13-7-11-16-10-5-6-12-17(16)18/h2-13,26H,14H2,1H3,(H,22,24)(H,23,25)/t21-/m1/s1
InChIKeyNIDVHWYOCOCSER-OAQYLSRUSA-N
XLogP3.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446
3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide
CID 65264771
2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide
CID 14812883
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid
CID 79629217
N-anthracen-1-yl-2,2-dimethylpropanamide
CID 54051117
(2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide
CID 101074352
2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide
CID 163297603
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-phenylacetamide
CID 24637856
2-chloro-5,5,5-trifluoro-N-naphthalen-1-yl-2-phenylpentanamide
CID 163297566

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide?
The IUPAC name of (2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide (CID 102506983) is (2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide.
What is the SMILES notation for (2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide?
The canonical SMILES for (2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide is C[C@](Cc1ccccc1)(C(=O)NO)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide?
The InChIKey is NIDVHWYOCOCSER-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-21(20(25)23-26,14-15-8-3-2-4-9-15)19(24)22-18-13-7-11-16-10-5-6-12-17(16)18/h2-13,26H,14H2,1H3,(H,22,24)(H,23,25)/t21-/m1/s1.
What are the key properties of (2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide?
(2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide has a molecular weight of 348.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide is sourced from PubChem (CID 102506983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).