2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid

C26H44N2O3 — CID 177435177

IUPAC2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)CNC(C(=O)O)c1ccccc1
InChIInChI=1S/C26H44N2O3/c1-5-9-14-21(7-3)19-28(20-22(8-4)15-10-6-2)24(29)18-27-25(26(30)31)23-16-12-11-13-17-23/h11-13,16-17,21-22,25,27H,5-10,14-15,18-20H2,1-4H3,(H,30,31)
InChIKeyDAIVTTQMUSVOEW-UHFFFAOYSA-N
MW432.65 g/mol
LogP5.66
Rot. Bonds17

About 2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid

2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid (PubChem CID 177435177) has the molecular formula C26H44N2O3 and a molecular weight of 432.65 g/mol. Its IUPAC name is 2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid
PubChem CID177435177
Molecular FormulaC26H44N2O3
Molecular Weight432.65 g/mol
Exact Mass432.34
IUPAC Name2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)CNC(C(=O)O)c1ccccc1
InChIInChI=1S/C26H44N2O3/c1-5-9-14-21(7-3)19-28(20-22(8-4)15-10-6-2)24(29)18-27-25(26(30)31)23-16-12-11-13-17-23/h11-13,16-17,21-22,25,27H,5-10,14-15,18-20H2,1-4H3,(H,30,31)
InChIKeyDAIVTTQMUSVOEW-UHFFFAOYSA-N
XLogP5.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.65
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-ethylbutylamino)-2-phenylacetic acid
CID 122038582
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide
CID 91693865
N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
CID 20752277
(2S)-2-(2-ethylhexanoylamino)-2-phenylacetic acid
CID 104896986
2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide
CID 129361637
benzoic acid;2-ethyl-N,N-dimethylhexan-1-amine
CID 175078681
N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide
CID 125400279
2-[bis[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]acetic acid
CID 138501386
N-chloro-N-(2-ethylhexyl)benzamide
CID 150667226
2-(1-phenylethylamino)-N,N-dipropylacetamide
CID 54815250
2-(butylsulfonylamino)-2-phenylacetic acid
CID 16775375

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid (CID 177435177) is 2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid is CCCCC(CC)CN(CC(CC)CCCC)C(=O)CNC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid?
The InChIKey is DAIVTTQMUSVOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O3/c1-5-9-14-21(7-3)19-28(20-22(8-4)15-10-6-2)24(29)18-27-25(26(30)31)23-16-12-11-13-17-23/h11-13,16-17,21-22,25,27H,5-10,14-15,18-20H2,1-4H3,(H,30,31).
What are the key properties of 2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid?
2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid has a molecular weight of 432.65 g/mol, XLogP of 5.66, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 177435177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).