[(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid

C20H38N2O4 — CID 21150840

IUPAC[(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid
SMILESCCCCC(CC)CN(/C=C/N(CC(CC)CCCC)C(=O)O)C(=O)O
InChIInChI=1S/C20H38N2O4/c1-5-9-11-17(7-3)15-21(19(23)24)13-14-22(20(25)26)16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3,(H,23,24)(H,25,26)/b14-13+
InChIKeyUIHSIOQXSZCGJN-BUHFOSPRSA-N
MW370.53 g/mol
LogP5.85
Rot. Bonds14

About [(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid

[(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid (PubChem CID 21150840) has the molecular formula C20H38N2O4 and a molecular weight of 370.53 g/mol. Its IUPAC name is [(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid.

Molecular Properties

Compound Name[(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid
PubChem CID21150840
Molecular FormulaC20H38N2O4
Molecular Weight370.53 g/mol
Exact Mass370.28
IUPAC Name[(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid
SMILESCCCCC(CC)CN(/C=C/N(CC(CC)CCCC)C(=O)O)C(=O)O
InChIInChI=1S/C20H38N2O4/c1-5-9-11-17(7-3)15-21(19(23)24)13-14-22(20(25)26)16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3,(H,23,24)(H,25,26)/b14-13+
InChIKeyUIHSIOQXSZCGJN-BUHFOSPRSA-N
XLogP5.85
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethenyl-N-(2-ethylhexyl)carbamoyl chloride
CID 21421924
[bis(2-ethylhexyl)amino]carbamic acid
CID 174534036
bis(2-ethylhexyl)carbamothioic S-acid
CID 25087104
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
CID 20752277
N-(2-ethylhexyl)-N-methylprop-2-enamide
CID 150337538
2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine
CID 170537476
2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide
CID 129361637
dihydroxy(oxo)phosphanium;3-ethylheptane
CID 88713628
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
2-[bis[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]acetic acid
CID 138501386
2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide
CID 20752249

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid?
The IUPAC name of [(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid (CID 21150840) is [(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid.
What is the SMILES notation for [(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid?
The canonical SMILES for [(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid is CCCCC(CC)CN(/C=C/N(CC(CC)CCCC)C(=O)O)C(=O)O.
What is the InChIKey of [(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid?
The InChIKey is UIHSIOQXSZCGJN-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H38N2O4/c1-5-9-11-17(7-3)15-21(19(23)24)13-14-22(20(25)26)16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3,(H,23,24)(H,25,26)/b14-13+.
What are the key properties of [(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid?
[(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid has a molecular weight of 370.53 g/mol, XLogP of 5.85, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid is sourced from PubChem (CID 21150840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).