2-[[2-(4-tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]acetic acid

C24H33NO3 — CID 76955634

IUPAC2-[[2-(4-tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]acetic acid
SMILESCc1cc(OC2CCC(C(C)(C)C)CC2)c(CNCC(=O)O)c2ccccc12
InChIInChI=1S/C24H33NO3/c1-16-13-22(28-18-11-9-17(10-12-18)24(2,3)4)21(14-25-15-23(26)27)20-8-6-5-7-19(16)20/h5-8,13,17-18,25H,9-12,14-15H2,1-4H3,(H,26,27)
InChIKeyHWBOUFYJEYQDCB-UHFFFAOYSA-N
MW383.53 g/mol
LogP5.31
Rot. Bonds6

About 2-[[2-(4-tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]acetic acid

2-[[2-(4-tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]acetic acid (PubChem CID 76955634) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 2-[[2-(4-tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]acetic acid
PubChem CID76955634
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name2-[[2-(4-tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]acetic acid
SMILESCc1cc(OC2CCC(C(C)(C)C)CC2)c(CNCC(=O)O)c2ccccc12
InChIInChI=1S/C24H33NO3/c1-16-13-22(28-18-11-9-17(10-12-18)24(2,3)4)21(14-25-15-23(26)27)20-8-6-5-7-19(16)20/h5-8,13,17-18,25H,9-12,14-15H2,1-4H3,(H,26,27)
InChIKeyHWBOUFYJEYQDCB-UHFFFAOYSA-N
XLogP5.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(4-tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]acetic acid with MolForge

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Related Compounds

1-((2-((1r,4r)-4-Tert-butylcyclohexyloxy)-4-methylnaphthalen-1-yl)methyl)piperidine-4-carboxylic acid
CID 77846592
3-[[2-(4-Tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]cyclobutane-1-carboxylic acid
CID 77846502
4-[[2-(4-Tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]cyclohexane-1-carboxylic acid
CID 77846503
3-[[2-(4-Tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]cyclopentane-1-carboxylic acid
CID 77846505
1-[(4-Methyl-2-spiro[4.5]decan-8-yloxynaphthalen-1-yl)methyl]piperidine-4-carboxylic acid
CID 77846754
3-[[2-(4-Tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]propanoic acid
CID 77847762
1-[[2-(4-Tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methyl]pyrrolidine-3-carboxylic acid
CID 77847765
1-(2-(benzyloxy)naphthalen-1-yl)-N-methylmethanamine hydrochloride
CID 2964158
N-[(2-methoxynaphthalen-1-yl)methyl]-1-phenylethanamine;oxalic acid
CID 23724190
3-[[3-[3-(4-Tert-butylcyclohexyl)oxyphenyl]-5-fluorophenyl]methylamino]propanoic acid
CID 76285000
2-[1-[[2-(4-Tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methyl]pyrrolidin-3-yl]acetic acid
CID 77846507
1-[[4-Methyl-2-[4-(2-methylbutan-2-yl)cyclohexyl]oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid
CID 77846591

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]acetic acid?
The IUPAC name of 2-[[2-(4-tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]acetic acid (CID 76955634) is 2-[[2-(4-tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]acetic acid is Cc1cc(OC2CCC(C(C)(C)C)CC2)c(CNCC(=O)O)c2ccccc12.
What is the InChIKey of 2-[[2-(4-tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]acetic acid?
The InChIKey is HWBOUFYJEYQDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-16-13-22(28-18-11-9-17(10-12-18)24(2,3)4)21(14-25-15-23(26)27)20-8-6-5-7-19(16)20/h5-8,13,17-18,25H,9-12,14-15H2,1-4H3,(H,26,27).
What are the key properties of 2-[[2-(4-tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]acetic acid?
2-[[2-(4-tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]acetic acid has a molecular weight of 383.53 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]acetic acid is sourced from PubChem (CID 76955634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).