N'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide

C28H30N2O2 — CID 108510807

IUPACN'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
SMILESCCC(NC(=O)C(=O)N(Cc1ccccc1)c1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C28H30N2O2/c1-2-26(24-18-17-22-13-9-10-14-23(22)19-24)29-27(31)28(32)30(25-15-7-4-8-16-25)20-21-11-5-3-6-12-21/h3-8,11-12,15-19,26H,2,9-10,13-14,20H2,1H3,(H,29,31)
InChIKeySITUNVXNZQEXOA-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.37
Rot. Bonds6

About N'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide

N'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide (PubChem CID 108510807) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
PubChem CID108510807
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC NameN'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
SMILESCCC(NC(=O)C(=O)N(Cc1ccccc1)c1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C28H30N2O2/c1-2-26(24-18-17-22-13-9-10-14-23(22)19-24)29-27(31)28(32)30(25-15-7-4-8-16-25)20-21-11-5-3-6-12-21/h3-8,11-12,15-19,26H,2,9-10,13-14,20H2,1H3,(H,29,31)
InChIKeySITUNVXNZQEXOA-UHFFFAOYSA-N
XLogP5.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.37
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

1-phenyl-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975074
1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975075
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
N-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510820
N'-benzyl-N'-(2-hydroxyethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511215
N-(2-tert-butylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510829
2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 108505562
2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191316
2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 108510874
(Z)-3-(N-(4-aminophenyl)anilino)-2-cyano-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
CID 108848212
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
CID 108795925
N-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510725

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
The IUPAC name of N'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide (CID 108510807) is N'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide.
What is the SMILES notation for N'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
The canonical SMILES for N'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide is CCC(NC(=O)C(=O)N(Cc1ccccc1)c1ccccc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
The InChIKey is SITUNVXNZQEXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-2-26(24-18-17-22-13-9-10-14-23(22)19-24)29-27(31)28(32)30(25-15-7-4-8-16-25)20-21-11-5-3-6-12-21/h3-8,11-12,15-19,26H,2,9-10,13-14,20H2,1H3,(H,29,31).
What are the key properties of N'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
N'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide has a molecular weight of 426.56 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide is sourced from PubChem (CID 108510807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).