2-(2-tert-butylanilino)-2-phenylacetic acid

C18H21NO2 — CID 103254668

IUPAC2-(2-tert-butylanilino)-2-phenylacetic acid
SMILESCC(C)(C)c1ccccc1NC(C(=O)O)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)14-11-7-8-12-15(14)19-16(17(20)21)13-9-5-4-6-10-13/h4-12,16,19H,1-3H3,(H,20,21)
InChIKeyHYWUKNCZXISRST-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.22
Rot. Bonds4

About 2-(2-tert-butylanilino)-2-phenylacetic acid

2-(2-tert-butylanilino)-2-phenylacetic acid (PubChem CID 103254668) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(2-tert-butylanilino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-tert-butylanilino)-2-phenylacetic acid
PubChem CID103254668
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(2-tert-butylanilino)-2-phenylacetic acid
SMILESCC(C)(C)c1ccccc1NC(C(=O)O)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)14-11-7-8-12-15(14)19-16(17(20)21)13-9-5-4-6-10-13/h4-12,16,19H,1-3H3,(H,20,21)
InChIKeyHYWUKNCZXISRST-UHFFFAOYSA-N
XLogP4.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylanilino)-2-phenylacetic acid
CID 103232176
2-tert-butyl-N-(1-phenylethyl)aniline
CID 43226869
2-(2-methylbut-3-yn-2-ylamino)-2-phenylacetic acid
CID 103252062
2-amino-N-(2-tert-butylphenyl)-2-phenylacetamide
CID 43702622
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
2-[2-(difluoromethylsulfanyl)anilino]-2-phenylacetic acid
CID 103232609
4-(2-tert-butylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496989
2-phenyl-2-(2,4,5-trifluoroanilino)acetic acid
CID 103249563
2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid
CID 115524516
methyl 2-(2-tert-butylanilino)butanoate
CID 113292387
2-(2-bromo-4-methylanilino)-2-phenylacetic acid
CID 103231663
2-(2-chloro-5-methylanilino)-2-phenylacetic acid
CID 107636535

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylanilino)-2-phenylacetic acid?
The IUPAC name of 2-(2-tert-butylanilino)-2-phenylacetic acid (CID 103254668) is 2-(2-tert-butylanilino)-2-phenylacetic acid.
What is the SMILES notation for 2-(2-tert-butylanilino)-2-phenylacetic acid?
The canonical SMILES for 2-(2-tert-butylanilino)-2-phenylacetic acid is CC(C)(C)c1ccccc1NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-tert-butylanilino)-2-phenylacetic acid?
The InChIKey is HYWUKNCZXISRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,3)14-11-7-8-12-15(14)19-16(17(20)21)13-9-5-4-6-10-13/h4-12,16,19H,1-3H3,(H,20,21).
What are the key properties of 2-(2-tert-butylanilino)-2-phenylacetic acid?
2-(2-tert-butylanilino)-2-phenylacetic acid has a molecular weight of 283.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylanilino)-2-phenylacetic acid is sourced from PubChem (CID 103254668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).