2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid

C24H31NO3 — CID 70166397

IUPAC2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid
SMILESCC(C)(C)COc1ccc2c(c1)CCC(CNCC(=O)O)C2c1ccccc1
InChIInChI=1S/C24H31NO3/c1-24(2,3)16-28-20-11-12-21-18(13-20)9-10-19(14-25-15-22(26)27)23(21)17-7-5-4-6-8-17/h4-8,11-13,19,23,25H,9-10,14-16H2,1-3H3,(H,26,27)
InChIKeyZHLIGCDKBAFLEJ-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.48
Rot. Bonds7

About 2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid

2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid (PubChem CID 70166397) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid
PubChem CID70166397
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid
SMILESCC(C)(C)COc1ccc2c(c1)CCC(CNCC(=O)O)C2c1ccccc1
InChIInChI=1S/C24H31NO3/c1-24(2,3)16-28-20-11-12-21-18(13-20)9-10-19(14-25-15-22(26)27)23(21)17-7-5-4-6-8-17/h4-8,11-13,19,23,25H,9-10,14-16H2,1-3H3,(H,26,27)
InChIKeyZHLIGCDKBAFLEJ-UHFFFAOYSA-N
XLogP4.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid with MolForge

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Related Compounds

ORG-25935 free base
CID 11717074
N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
CID 9927233
N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]butanamide
CID 22133237
N-[2-[7-methoxy-3-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide
CID 22133276
3-[[2-(4-Tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]propanoic acid
CID 77847762
Org 25935
CID 11740218
N-[3-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]acetamide
CID 42629716
N-[(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]acetamide
CID 42629717
N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propanamide
CID 42629718
N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]prop-2-enamide
CID 44582899
N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]but-3-enamide
CID 44582900
2-[[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid
CID 57519515

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid?
The IUPAC name of 2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid (CID 70166397) is 2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid is CC(C)(C)COc1ccc2c(c1)CCC(CNCC(=O)O)C2c1ccccc1.
What is the InChIKey of 2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid?
The InChIKey is ZHLIGCDKBAFLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-24(2,3)16-28-20-11-12-21-18(13-20)9-10-19(14-25-15-22(26)27)23(21)17-7-5-4-6-8-17/h4-8,11-13,19,23,25H,9-10,14-16H2,1-3H3,(H,26,27).
What are the key properties of 2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid?
2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid has a molecular weight of 381.52 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid is sourced from PubChem (CID 70166397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).