2-(4-tert-butylanilino)-2-phenylacetic acid

C18H21NO2 — CID 103232176

IUPAC2-(4-tert-butylanilino)-2-phenylacetic acid
SMILESCC(C)(C)c1ccc(NC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)14-9-11-15(12-10-14)19-16(17(20)21)13-7-5-4-6-8-13/h4-12,16,19H,1-3H3,(H,20,21)
InChIKeyBKYRSVSNWNNTMZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.22
Rot. Bonds4

About 2-(4-tert-butylanilino)-2-phenylacetic acid

2-(4-tert-butylanilino)-2-phenylacetic acid (PubChem CID 103232176) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(4-tert-butylanilino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(4-tert-butylanilino)-2-phenylacetic acid
PubChem CID103232176
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(4-tert-butylanilino)-2-phenylacetic acid
SMILESCC(C)(C)c1ccc(NC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)14-9-11-15(12-10-14)19-16(17(20)21)13-7-5-4-6-8-13/h4-12,16,19H,1-3H3,(H,20,21)
InChIKeyBKYRSVSNWNNTMZ-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

(2R)-2-anilino-2-phenylacetic acid
CID 6999890
2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide
CID 60597929
2-(2-tert-butylanilino)-2-phenylacetic acid
CID 103254668
2-(4-cyanoanilino)-2-phenylacetic acid
CID 22039129
(2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid
CID 7148217
N-(4-tert-butylphenyl)-2,2-diphenylacetamide
CID 7914210
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
2-(3,4-difluoroanilino)-2-phenylacetic acid
CID 70136310
2-phenyl-2-(3-propan-2-ylanilino)acetic acid
CID 21063795
1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone
CID 134071873
(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid
CID 104897086
2-anilino-2-phenylacetamide;ethane
CID 142824395

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylanilino)-2-phenylacetic acid?
The IUPAC name of 2-(4-tert-butylanilino)-2-phenylacetic acid (CID 103232176) is 2-(4-tert-butylanilino)-2-phenylacetic acid.
What is the SMILES notation for 2-(4-tert-butylanilino)-2-phenylacetic acid?
The canonical SMILES for 2-(4-tert-butylanilino)-2-phenylacetic acid is CC(C)(C)c1ccc(NC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-tert-butylanilino)-2-phenylacetic acid?
The InChIKey is BKYRSVSNWNNTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,3)14-9-11-15(12-10-14)19-16(17(20)21)13-7-5-4-6-8-13/h4-12,16,19H,1-3H3,(H,20,21).
What are the key properties of 2-(4-tert-butylanilino)-2-phenylacetic acid?
2-(4-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-(4-tert-butylanilino)-2-phenylacetic acid is sourced from PubChem (CID 103232176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).