2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid

C24H33NO3 — CID 51002209

IUPAC2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)c1ccc2cc(OC3CCC(C(C)(C)C)CC3)ccc2c1
InChIInChI=1S/C24H33NO3/c1-16(23(26)27)25(5)20-10-6-18-15-22(11-7-17(18)14-20)28-21-12-8-19(9-13-21)24(2,3)4/h6-7,10-11,14-16,19,21H,8-9,12-13H2,1-5H3,(H,26,27)
InChIKeyYMOKFICEKCMOCW-UHFFFAOYSA-N
MW383.53 g/mol
LogP5.73
Rot. Bonds5

About 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid

2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid (PubChem CID 51002209) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid
PubChem CID51002209
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)c1ccc2cc(OC3CCC(C(C)(C)C)CC3)ccc2c1
InChIInChI=1S/C24H33NO3/c1-16(23(26)27)25(5)20-10-6-18-15-22(11-7-17(18)14-20)28-21-12-8-19(9-13-21)24(2,3)4/h6-7,10-11,14-16,19,21H,8-9,12-13H2,1-5H3,(H,26,27)
InChIKeyYMOKFICEKCMOCW-UHFFFAOYSA-N
XLogP5.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid with MolForge

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Related Compounds

(2E,4E)-6-((3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)(propyl)amino)-3-methylhexa-2,4-dienoic acid
CID 44410405
{N-(4-methoxyphenyl)-(3-(naphthalen-2-yloxy)propyl)amino}acetic acid ethyl ester
CID 10363179
All-Bond 2
CID 133082082
2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetic acid
CID 22022374
3-[4-[[3-[4-(4,4-Dimethylpentoxy)-2-methylphenyl]phenyl]methylamino]phenyl]propanoic acid
CID 177657405
2,2-Difluoro-3-[methyl-(6-spiro[5.5]undecan-3-yloxynaphthalen-2-yl)amino]propanoic acid
CID 51002207
3-[[6-(4-Tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]-2,2-difluoropropanoic acid
CID 51002341
3-[[6-(4-Tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]-methylamino]propanoic acid
CID 51002343
ethyl 2-[2-(4-tert-butylphenoxy)-N-propyl-5-[4-(trifluoromethoxy)phenyl]anilino]acetate
CID 58007837
ethyl 2-[N-butyl-2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]anilino]acetate
CID 58008053
ethyl 2-[4-tert-butyl-N-[[2-pentoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]anilino]acetate
CID 58008131
ethyl 2-[2-(4-tert-butylphenoxy)-N-methyl-4-[4-(trifluoromethoxy)phenyl]anilino]acetate
CID 58008321

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid?
The IUPAC name of 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid (CID 51002209) is 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid is CC(C(=O)O)N(C)c1ccc2cc(OC3CCC(C(C)(C)C)CC3)ccc2c1.
What is the InChIKey of 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid?
The InChIKey is YMOKFICEKCMOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-16(23(26)27)25(5)20-10-6-18-15-22(11-7-17(18)14-20)28-21-12-8-19(9-13-21)24(2,3)4/h6-7,10-11,14-16,19,21H,8-9,12-13H2,1-5H3,(H,26,27).
What are the key properties of 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid?
2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid has a molecular weight of 383.53 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid is sourced from PubChem (CID 51002209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).