N'-benzyl-N'-(2-methylnaphthalen-1-yl)oxamide

C20H18N2O2 — CID 166463262

IUPACN'-benzyl-N'-(2-methylnaphthalen-1-yl)oxamide
SMILESCc1ccc2ccccc2c1N(Cc1ccccc1)C(=O)C(N)=O
InChIInChI=1S/C20H18N2O2/c1-14-11-12-16-9-5-6-10-17(16)18(14)22(20(24)19(21)23)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H2,21,23)
InChIKeyJLRYDRMTGPDHDV-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.17
Rot. Bonds3

About N'-benzyl-N'-(2-methylnaphthalen-1-yl)oxamide

N'-benzyl-N'-(2-methylnaphthalen-1-yl)oxamide (PubChem CID 166463262) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N'-benzyl-N'-(2-methylnaphthalen-1-yl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N'-(2-methylnaphthalen-1-yl)oxamide
PubChem CID166463262
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN'-benzyl-N'-(2-methylnaphthalen-1-yl)oxamide
SMILESCc1ccc2ccccc2c1N(Cc1ccccc1)C(=O)C(N)=O
InChIInChI=1S/C20H18N2O2/c1-14-11-12-16-9-5-6-10-17(16)18(14)22(20(24)19(21)23)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H2,21,23)
InChIKeyJLRYDRMTGPDHDV-UHFFFAOYSA-N
XLogP3.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(2-methylprop-2-enoyl)amino]propanoate
CID 70526140
ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate
CID 11690046
(Z)-4-N-(2-methylnaphthalen-1-yl)but-2-enedihydrazide
CID 141193756
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
1-benzyl-1-chlorourea
CID 23442758
(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061
(2-iodonaphthalen-1-yl)-methylcarbamic acid
CID 70558210
3-methyl-3-(2-methylnaphthalen-1-yl)butanoic acid
CID 81432278
ethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate
CID 23908170
carbonic acid;1-methylnaphthalene
CID 66808059
ethyl 3-(N-benzylanilino)-2,3-dioxopropanoate
CID 134849073
N',N'-bis(2-fluoro-6-methylphenyl)oxamide
CID 129219134

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2-methylnaphthalen-1-yl)oxamide?
The IUPAC name of N'-benzyl-N'-(2-methylnaphthalen-1-yl)oxamide (CID 166463262) is N'-benzyl-N'-(2-methylnaphthalen-1-yl)oxamide.
What is the SMILES notation for N'-benzyl-N'-(2-methylnaphthalen-1-yl)oxamide?
The canonical SMILES for N'-benzyl-N'-(2-methylnaphthalen-1-yl)oxamide is Cc1ccc2ccccc2c1N(Cc1ccccc1)C(=O)C(N)=O.
What is the InChIKey of N'-benzyl-N'-(2-methylnaphthalen-1-yl)oxamide?
The InChIKey is JLRYDRMTGPDHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-14-11-12-16-9-5-6-10-17(16)18(14)22(20(24)19(21)23)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H2,21,23).
What are the key properties of N'-benzyl-N'-(2-methylnaphthalen-1-yl)oxamide?
N'-benzyl-N'-(2-methylnaphthalen-1-yl)oxamide has a molecular weight of 318.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2-methylnaphthalen-1-yl)oxamide is sourced from PubChem (CID 166463262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).