[(2R)-1-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl] acetate

C17H23NO3 — CID 10902327

IUPAC[(2R)-1-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl] acetate
SMILESCC(=O)NC[C@](C)(OC(C)=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H23NO3/c1-12(19)18-11-17(3,21-13(2)20)16-9-8-14-6-4-5-7-15(14)10-16/h8-10H,4-7,11H2,1-3H3,(H,18,19)/t17-/m0/s1
InChIKeyYHZQYELCPVVMEO-KRWDZBQOSA-N
MW289.38 g/mol
LogP2.48
Rot. Bonds4

About [(2R)-1-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl] acetate

[(2R)-1-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl] acetate (PubChem CID 10902327) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is [(2R)-1-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl] acetate
PubChem CID10902327
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name[(2R)-1-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl] acetate
SMILESCC(=O)NC[C@](C)(OC(C)=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H23NO3/c1-12(19)18-11-17(3,21-13(2)20)16-9-8-14-6-4-5-7-15(14)10-16/h8-10H,4-7,11H2,1-3H3,(H,18,19)/t17-/m0/s1
InChIKeyYHZQYELCPVVMEO-KRWDZBQOSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 101124562
N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 10999367
N-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]acetamide
CID 115191462
2-[[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]amino]acetamide
CID 115260325
2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]acetamide
CID 115162255
1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide
CID 115172769
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82116189
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide
CID 82113869
N-[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]acetamide
CID 115191431
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid
CID 117049182
2-(2,3-dihydro-1H-inden-5-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261409

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl] acetate?
The IUPAC name of [(2R)-1-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl] acetate (CID 10902327) is [(2R)-1-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl] acetate.
What is the SMILES notation for [(2R)-1-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl] acetate?
The canonical SMILES for [(2R)-1-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl] acetate is CC(=O)NC[C@](C)(OC(C)=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of [(2R)-1-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl] acetate?
The InChIKey is YHZQYELCPVVMEO-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(19)18-11-17(3,21-13(2)20)16-9-8-14-6-4-5-7-15(14)10-16/h8-10H,4-7,11H2,1-3H3,(H,18,19)/t17-/m0/s1.
What are the key properties of [(2R)-1-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl] acetate?
[(2R)-1-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl] acetate has a molecular weight of 289.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl] acetate is sourced from PubChem (CID 10902327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).