N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide

C26H24N2O4 — CID 23140892

IUPACN,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide
SMILESO=C(NC(CO)c1cccc2ccccc12)C(=O)NC(CO)c1cccc2ccccc12
InChIInChI=1S/C26H24N2O4/c29-15-23(21-13-5-9-17-7-1-3-11-19(17)21)27-25(31)26(32)28-24(16-30)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,23-24,29-30H,15-16H2,(H,27,31)(H,28,32)
InChIKeyAJZNRKQYRJNQEI-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.99
Rot. Bonds6

About N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide

N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide (PubChem CID 23140892) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide.

Molecular Properties

Compound NameN,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide
PubChem CID23140892
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC NameN,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide
SMILESO=C(NC(CO)c1cccc2ccccc12)C(=O)NC(CO)c1cccc2ccccc12
InChIInChI=1S/C26H24N2O4/c29-15-23(21-13-5-9-17-7-1-3-11-19(17)21)27-25(31)26(32)28-24(16-30)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,23-24,29-30H,15-16H2,(H,27,31)(H,28,32)
InChIKeyAJZNRKQYRJNQEI-UHFFFAOYSA-N
XLogP2.99
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(iodoamino)-2-naphthalen-1-ylethanol
CID 88639015
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-(2-methylanilino)-2-naphthalen-1-ylethanol
CID 61047528
N-[(1R)-1-naphthalen-1-ylbutyl]acetamide
CID 101232635
2-(cyclohexylamino)-2-naphthalen-1-ylethanol
CID 61047481
3-naphthalen-1-yl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 3764471
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol
CID 61054191
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide
CID 118415065
3-naphthalen-1-ylbutanoic acid
CID 43211329
1,3,4-trihydroxy-4-naphthalen-1-ylbutan-2-one
CID 102281218

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide?
The IUPAC name of N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide (CID 23140892) is N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide.
What is the SMILES notation for N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide?
The canonical SMILES for N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide is O=C(NC(CO)c1cccc2ccccc12)C(=O)NC(CO)c1cccc2ccccc12.
What is the InChIKey of N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide?
The InChIKey is AJZNRKQYRJNQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c29-15-23(21-13-5-9-17-7-1-3-11-19(17)21)27-25(31)26(32)28-24(16-30)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,23-24,29-30H,15-16H2,(H,27,31)(H,28,32).
What are the key properties of N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide?
N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide has a molecular weight of 428.49 g/mol, XLogP of 2.99, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide is sourced from PubChem (CID 23140892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).