2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid

C18H29NO2 — CID 84749031

IUPAC2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid
SMILESCCCCN(CC)C(C(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO2/c1-6-8-13-19(7-2)16(17(20)21)14-9-11-15(12-10-14)18(3,4)5/h9-12,16H,6-8,13H2,1-5H3,(H,20,21)
InChIKeyJBLQNBJKEAWVEA-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.23
Rot. Bonds7

About 2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid

2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid (PubChem CID 84749031) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid
PubChem CID84749031
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid
SMILESCCCCN(CC)C(C(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO2/c1-6-8-13-19(7-2)16(17(20)21)14-9-11-15(12-10-14)18(3,4)5/h9-12,16H,6-8,13H2,1-5H3,(H,20,21)
InChIKeyJBLQNBJKEAWVEA-UHFFFAOYSA-N
XLogP4.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid
CID 84747042
2-(dibutylamino)-2-(4-fluorophenyl)acetic acid
CID 82345151
2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid
CID 84747268
2-[butyl(ethyl)amino]-2-phenylacetamide
CID 82041318
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
CID 61446531
N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine
CID 43079217
2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid
CID 84748015
2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115525080
2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid
CID 84749156
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
3-[[carboxy-(4-methylsulfanylphenyl)methyl]-ethylamino]propanoic acid
CID 84747020
2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid
CID 84748642

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid?
The IUPAC name of 2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid (CID 84749031) is 2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid.
What is the SMILES notation for 2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid?
The canonical SMILES for 2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid is CCCCN(CC)C(C(=O)O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid?
The InChIKey is JBLQNBJKEAWVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-8-13-19(7-2)16(17(20)21)14-9-11-15(12-10-14)18(3,4)5/h9-12,16H,6-8,13H2,1-5H3,(H,20,21).
What are the key properties of 2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid?
2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid has a molecular weight of 291.44 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid is sourced from PubChem (CID 84749031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).