ethyl 2-[[2-(dihexylamino)acetyl]amino]acetate

C18H36N2O3 — CID 10616283

IUPACethyl 2-[[2-(dihexylamino)acetyl]amino]acetate
SMILESCCCCCCN(CCCCCC)CC(=O)NCC(=O)OCC
InChIInChI=1S/C18H36N2O3/c1-4-7-9-11-13-20(14-12-10-8-5-2)16-17(21)19-15-18(22)23-6-3/h4-16H2,1-3H3,(H,19,21)
InChIKeyAMSKAGLTPVSHOA-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.13
Rot. Bonds15

About ethyl 2-[[2-(dihexylamino)acetyl]amino]acetate

ethyl 2-[[2-(dihexylamino)acetyl]amino]acetate (PubChem CID 10616283) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is ethyl 2-[[2-(dihexylamino)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(dihexylamino)acetyl]amino]acetate
PubChem CID10616283
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Nameethyl 2-[[2-(dihexylamino)acetyl]amino]acetate
SMILESCCCCCCN(CCCCCC)CC(=O)NCC(=O)OCC
InChIInChI=1S/C18H36N2O3/c1-4-7-9-11-13-20(14-12-10-8-5-2)16-17(21)19-15-18(22)23-6-3/h4-16H2,1-3H3,(H,19,21)
InChIKeyAMSKAGLTPVSHOA-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 55208036
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ethyl 3-[dodecyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 11406516
4-[[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]amino]butyl pentanoate
CID 137362794
3-[(3-ethoxy-3-oxopropyl)-hexylamino]propanoic acid
CID 140535457
ethyl 2-(hexylcarbamoylamino)acetate
CID 60648696
hexyl 2-(ethoxycarbonylamino)acetate
CID 6421848
tridecyl 2-(ethoxycarbonylamino)acetate
CID 6421885
2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
CID 100944879
ethyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 62229761
9-[dodecyl(hydroxy)amino]nonyl 2-(didecylamino)acetate
CID 171586143

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(dihexylamino)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(dihexylamino)acetyl]amino]acetate (CID 10616283) is ethyl 2-[[2-(dihexylamino)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(dihexylamino)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(dihexylamino)acetyl]amino]acetate is CCCCCCN(CCCCCC)CC(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(dihexylamino)acetyl]amino]acetate?
The InChIKey is AMSKAGLTPVSHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-4-7-9-11-13-20(14-12-10-8-5-2)16-17(21)19-15-18(22)23-6-3/h4-16H2,1-3H3,(H,19,21).
What are the key properties of ethyl 2-[[2-(dihexylamino)acetyl]amino]acetate?
ethyl 2-[[2-(dihexylamino)acetyl]amino]acetate has a molecular weight of 328.50 g/mol, XLogP of 3.13, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(dihexylamino)acetyl]amino]acetate is sourced from PubChem (CID 10616283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).