N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide

C36H72N2O3 — CID 125400279

IUPACN,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide
SMILESCCCCC(CC)CN(C[C@H](CC)CCCC)C(=O)COCC(=O)N(C[C@H](CC)CCCC)C[C@@H](CC)CCCC
InChIInChI=1S/C36H72N2O3/c1-9-17-21-31(13-5)25-37(26-32(14-6)22-18-10-2)35(39)29-41-30-36(40)38(27-33(15-7)23-19-11-3)28-34(16-8)24-20-12-4/h31-34H,9-30H2,1-8H3/t31-,32+,33-,34?/m1/s1
InChIKeyMJJHOBMBUANRML-KOANPKMSSA-N
MW580.98 g/mol
LogP9.53
Rot. Bonds28

About N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide

N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide (PubChem CID 125400279) has the molecular formula C36H72N2O3 and a molecular weight of 580.98 g/mol. Its IUPAC name is N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide
PubChem CID125400279
Molecular FormulaC36H72N2O3
Molecular Weight580.98 g/mol
Exact Mass580.55
IUPAC NameN,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide
SMILESCCCCC(CC)CN(C[C@H](CC)CCCC)C(=O)COCC(=O)N(C[C@H](CC)CCCC)C[C@@H](CC)CCCC
InChIInChI=1S/C36H72N2O3/c1-9-17-21-31(13-5)25-37(26-32(14-6)22-18-10-2)35(39)29-41-30-36(40)38(27-33(15-7)23-19-11-3)28-34(16-8)24-20-12-4/h31-34H,9-30H2,1-8H3/t31-,32+,33-,34?/m1/s1
InChIKeyMJJHOBMBUANRML-KOANPKMSSA-N
XLogP9.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.98
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
CID 20752277
2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide
CID 129361637
2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide
CID 175930212
bis(2-ethylhexyl)carbamothioic S-acid
CID 25087104
2-[bis[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]acetic acid
CID 138501386
propyl 6-[bis(2-ethylhexyl)amino]-6-oxohexanoate
CID 91717811
2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide
CID 20752249
2-[2-(dipentylamino)-2-oxoethoxy]-N,N-dipentylacetamide
CID 102105691
N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
CID 71346769
2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
CID 71406470
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
2-(2-ethylhexoxy)acetic acid
CID 11651287

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide?
The IUPAC name of N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide (CID 125400279) is N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide.
What is the SMILES notation for N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide?
The canonical SMILES for N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide is CCCCC(CC)CN(C[C@H](CC)CCCC)C(=O)COCC(=O)N(C[C@H](CC)CCCC)C[C@@H](CC)CCCC.
What is the InChIKey of N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide?
The InChIKey is MJJHOBMBUANRML-KOANPKMSSA-N. The full InChI is InChI=1S/C36H72N2O3/c1-9-17-21-31(13-5)25-37(26-32(14-6)22-18-10-2)35(39)29-41-30-36(40)38(27-33(15-7)23-19-11-3)28-34(16-8)24-20-12-4/h31-34H,9-30H2,1-8H3/t31-,32+,33-,34?/m1/s1.
What are the key properties of N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide?
N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide has a molecular weight of 580.98 g/mol, XLogP of 9.53, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide is sourced from PubChem (CID 125400279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).