N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide

C21H24N2O3 — CID 126776325

IUPACN-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NC2CCCc3c(O)cccc32)c1
InChIInChI=1S/C21H24N2O3/c1-13-9-14(2)11-15(10-13)21(26)22-12-20(25)23-18-7-3-6-17-16(18)5-4-8-19(17)24/h4-5,8-11,18,24H,3,6-7,12H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyDTEHIQUPAVVGNU-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.93
Rot. Bonds4

About N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 126776325) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID126776325
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NC2CCCc3c(O)cccc32)c1
InChIInChI=1S/C21H24N2O3/c1-13-9-14(2)11-15(10-13)21(26)22-12-20(25)23-18-7-3-6-17-16(18)5-4-8-19(17)24/h4-5,8-11,18,24H,3,6-7,12H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyDTEHIQUPAVVGNU-UHFFFAOYSA-N
XLogP2.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide with MolForge

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Related Compounds

N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide
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N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide
CID 51104169
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CID 129391588
N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide
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ethyl (3S)-3-hydroxy-4-[[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-oxobutanoate
CID 124729299
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46559066
N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(propan-2-ylsulfamoyl)benzamide
CID 126786285
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 99795349
N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide
CID 99795360
N-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide
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3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 126776325) is N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(=O)NC2CCCc3c(O)cccc32)c1.
What is the InChIKey of N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is DTEHIQUPAVVGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-9-14(2)11-15(10-13)21(26)22-12-20(25)23-18-7-3-6-17-16(18)5-4-8-19(17)24/h4-5,8-11,18,24H,3,6-7,12H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 352.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 126776325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).