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

C23H28N2O3 — CID 108511215

IUPACN'-benzyl-N'-(2-hydroxyethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)N(CCO)Cc1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H28N2O3/c1-17(20-12-11-19-9-5-6-10-21(19)15-20)24-22(27)23(28)25(13-14-26)16-18-7-3-2-4-8-18/h2-4,7-8,11-12,15,17,26H,5-6,9-10,13-14,16H2,1H3,(H,24,27)
InChIKeyXKHWLDKCSQCFPB-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.76
Rot. Bonds6

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

N'-benzyl-N'-(2-hydroxyethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide (PubChem CID 108511215) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N'-benzyl-N'-(2-hydroxyethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-benzyl-N'-(2-hydroxyethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
PubChem CID108511215
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN'-benzyl-N'-(2-hydroxyethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)N(CCO)Cc1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H28N2O3/c1-17(20-12-11-19-9-5-6-10-21(19)15-20)24-22(27)23(28)25(13-14-26)16-18-7-3-2-4-8-18/h2-4,7-8,11-12,15,17,26H,5-6,9-10,13-14,16H2,1H3,(H,24,27)
InChIKeyXKHWLDKCSQCFPB-UHFFFAOYSA-N
XLogP2.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 119272187
N'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510807
(Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848956
N-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511179
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 108795927
N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide
CID 9395259
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 111423315
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 125084284
1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 110892252
N-(2-bromophenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511313
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
2-(4-methylphenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 127120578

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2-hydroxyethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The IUPAC name of N'-benzyl-N'-(2-hydroxyethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide (CID 108511215) is N'-benzyl-N'-(2-hydroxyethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-benzyl-N'-(2-hydroxyethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The canonical SMILES for N'-benzyl-N'-(2-hydroxyethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide is CC(NC(=O)C(=O)N(CCO)Cc1ccccc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N'-benzyl-N'-(2-hydroxyethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The InChIKey is XKHWLDKCSQCFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17(20-12-11-19-9-5-6-10-21(19)15-20)24-22(27)23(28)25(13-14-26)16-18-7-3-2-4-8-18/h2-4,7-8,11-12,15,17,26H,5-6,9-10,13-14,16H2,1H3,(H,24,27).
What are the key properties of N'-benzyl-N'-(2-hydroxyethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
N'-benzyl-N'-(2-hydroxyethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide has a molecular weight of 380.49 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2-hydroxyethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide is sourced from PubChem (CID 108511215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).