4-[propan-2-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid

C24H31NO2 — CID 10338873

IUPAC4-[propan-2-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid
SMILESCC(C)N(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H31NO2/c1-16(2)25(18-9-7-17(8-10-18)22(26)27)19-11-12-20-21(15-19)24(5,6)14-13-23(20,3)4/h7-12,15-16H,13-14H2,1-6H3,(H,26,27)
InChIKeyMPNYKKIFTLYTIF-UHFFFAOYSA-N
MW365.52 g/mol
LogP6.28
Rot. Bonds4

About 4-[propan-2-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid

4-[propan-2-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid (PubChem CID 10338873) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-[propan-2-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[propan-2-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid
PubChem CID10338873
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name4-[propan-2-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid
SMILESCC(C)N(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H31NO2/c1-16(2)25(18-9-7-17(8-10-18)22(26)27)19-11-12-20-21(15-19)24(5,6)14-13-23(20,3)4/h7-12,15-16H,13-14H2,1-6H3,(H,26,27)
InChIKeyMPNYKKIFTLYTIF-UHFFFAOYSA-N
XLogP6.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid?
The IUPAC name of 4-[propan-2-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid (CID 10338873) is 4-[propan-2-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid.
What is the SMILES notation for 4-[propan-2-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid?
The canonical SMILES for 4-[propan-2-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid is CC(C)N(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 4-[propan-2-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid?
The InChIKey is MPNYKKIFTLYTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-16(2)25(18-9-7-17(8-10-18)22(26)27)19-11-12-20-21(15-19)24(5,6)14-13-23(20,3)4/h7-12,15-16H,13-14H2,1-6H3,(H,26,27).
What are the key properties of 4-[propan-2-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid?
4-[propan-2-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid has a molecular weight of 365.52 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid is sourced from PubChem (CID 10338873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).