N'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide

C19H20N2O2 — CID 169111215

IUPACN'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide
SMILESNC(=O)C(=O)N(Cc1ccccc1)C1CCCc2ccccc21
InChIInChI=1S/C19H20N2O2/c20-18(22)19(23)21(13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h1-5,7-9,11,17H,6,10,12-13H2,(H2,20,22)
InChIKeyLTKCMDZTCXWTAR-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.58
Rot. Bonds3

About N'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide

N'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide (PubChem CID 169111215) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide
PubChem CID169111215
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide
SMILESNC(=O)C(=O)N(Cc1ccccc1)C1CCCc2ccccc21
InChIInChI=1S/C19H20N2O2/c20-18(22)19(23)21(13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h1-5,7-9,11,17H,6,10,12-13H2,(H2,20,22)
InChIKeyLTKCMDZTCXWTAR-UHFFFAOYSA-N
XLogP2.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.58
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

2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801
cis-(1S,3R)-3-[benzyl(2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 134069273
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
5-[[4-(4-methoxyphenyl)phenyl]methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
CID 10167074
2-piperidin-4-yl-N-(pyridin-4-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 77089721
3-fluoro-N-(pyridin-4-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42697034
3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 42697000
2-hydroxy-5-[(3-phenoxyphenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]terephthalic acid
CID 10280337
2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid
CID 87438864
5-[[3-(4-chlorophenoxy)phenyl]methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
CID 10196854
N-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 915645
N-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 3756805

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide?
The IUPAC name of N'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide (CID 169111215) is N'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide.
What is the SMILES notation for N'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide?
The canonical SMILES for N'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide is NC(=O)C(=O)N(Cc1ccccc1)C1CCCc2ccccc21.
What is the InChIKey of N'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide?
The InChIKey is LTKCMDZTCXWTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c20-18(22)19(23)21(13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h1-5,7-9,11,17H,6,10,12-13H2,(H2,20,22).
What are the key properties of N'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide?
N'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide has a molecular weight of 308.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide is sourced from PubChem (CID 169111215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).