2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid

C24H33NO4 — CID 19363172

IUPAC2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid
SMILESCOc1ccccc1CNC(C(=O)O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H33NO4/c1-23(2,3)17-12-16(13-18(21(17)26)24(4,5)6)20(22(27)28)25-14-15-10-8-9-11-19(15)29-7/h8-13,20,25-26H,14H2,1-7H3,(H,27,28)
InChIKeyUHJUUTKJJWNAGP-UHFFFAOYSA-N
MW399.53 g/mol
LogP4.91
Rot. Bonds6

About 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid

2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid (PubChem CID 19363172) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid
PubChem CID19363172
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Name2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid
SMILESCOc1ccccc1CNC(C(=O)O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H33NO4/c1-23(2,3)17-12-16(13-18(21(17)26)24(4,5)6)20(22(27)28)25-14-15-10-8-9-11-19(15)29-7/h8-13,20,25-26H,14H2,1-7H3,(H,27,28)
InChIKeyUHJUUTKJJWNAGP-UHFFFAOYSA-N
XLogP4.91
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid
CID 84747421
(2S)-2-[(2-methoxyphenyl)methylamino]-5,5-dimethylhexanoic acid
CID 167496485
2-(cyclopropylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid
CID 19363178
ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate
CID 91380200
2-diphenylphosphanyl-2-[(2-methoxyphenyl)methylamino]acetic acid
CID 132557514
2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
CID 62392789
2-[(2-methoxy-5-methylphenyl)methylamino]-2-phenylacetamide
CID 56811840
2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine
CID 61227088
methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate
CID 101125242
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 54310024

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid?
The IUPAC name of 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid (CID 19363172) is 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid?
The canonical SMILES for 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid is COc1ccccc1CNC(C(=O)O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid?
The InChIKey is UHJUUTKJJWNAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-23(2,3)17-12-16(13-18(21(17)26)24(4,5)6)20(22(27)28)25-14-15-10-8-9-11-19(15)29-7/h8-13,20,25-26H,14H2,1-7H3,(H,27,28).
What are the key properties of 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid?
2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid has a molecular weight of 399.53 g/mol, XLogP of 4.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid is sourced from PubChem (CID 19363172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).