2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide

C20H30N2O3 — CID 111436327

IUPAC2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN(CCO)C1CCCc2ccccc21)C(C)C
InChIInChI=1S/C20H30N2O3/c1-14(2)20(15(3)24)21-19(25)13-22(11-12-23)18-10-6-8-16-7-4-5-9-17(16)18/h4-5,7,9,14,18,20,23H,6,8,10-13H2,1-3H3,(H,21,25)
InChIKeyDICNKRHFOOYNFJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.09
Rot. Bonds8

About 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 111436327) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID111436327
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN(CCO)C1CCCc2ccccc21)C(C)C
InChIInChI=1S/C20H30N2O3/c1-14(2)20(15(3)24)21-19(25)13-22(11-12-23)18-10-6-8-16-7-4-5-9-17(16)18/h4-5,7,9,14,18,20,23H,6,8,10-13H2,1-3H3,(H,21,25)
InChIKeyDICNKRHFOOYNFJ-UHFFFAOYSA-N
XLogP2.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
CID 111333591
N-[(1R)-1-(furan-2-yl)ethyl]-2-[2-hydroxyethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 95325971
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-prop-2-enylacetamide
CID 111332324
N-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide
CID 111333629
2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064550
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95322140
2-[2-methylsulfonylethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethanol
CID 96547860
2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064011
2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801
2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 111333650
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 111333592
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 134052147

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 111436327) is 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)CN(CCO)C1CCCc2ccccc21)C(C)C.
What is the InChIKey of 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is DICNKRHFOOYNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14(2)20(15(3)24)21-19(25)13-22(11-12-23)18-10-6-8-16-7-4-5-9-17(16)18/h4-5,7,9,14,18,20,23H,6,8,10-13H2,1-3H3,(H,21,25).
What are the key properties of 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 346.47 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 111436327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).