ethyl 2-(hexylcarbamoylamino)acetate

C11H22N2O3 — CID 60648696

IUPACethyl 2-(hexylcarbamoylamino)acetate
SMILESCCCCCCNC(=O)NCC(=O)OCC
InChIInChI=1S/C11H22N2O3/c1-3-5-6-7-8-12-11(15)13-9-10(14)16-4-2/h3-9H2,1-2H3,(H2,12,13,15)
InChIKeyGEMVWPUOTHWXIC-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.43
Rot. Bonds8

About ethyl 2-(hexylcarbamoylamino)acetate

ethyl 2-(hexylcarbamoylamino)acetate (PubChem CID 60648696) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-(hexylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(hexylcarbamoylamino)acetate
PubChem CID60648696
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 2-(hexylcarbamoylamino)acetate
SMILESCCCCCCNC(=O)NCC(=O)OCC
InChIInChI=1S/C11H22N2O3/c1-3-5-6-7-8-12-11(15)13-9-10(14)16-4-2/h3-9H2,1-2H3,(H2,12,13,15)
InChIKeyGEMVWPUOTHWXIC-UHFFFAOYSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-octylurea
CID 17269600
ethyl 6-[(4-ethoxy-4-oxobutyl)carbamoylamino]hexanoate
CID 3344425
ethyl 4-(butylcarbamoylamino)butanoate
CID 60677353
2-(heptylcarbamoylamino)acetic acid
CID 43129060
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744
1-propyl-3-tridecylurea
CID 10934987
ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate
CID 60969883
1-(4-aminobutyl)-3-[4-(hexadecylcarbamoylamino)butyl]urea
CID 101384576
1-(3-aminopropyl)-3-octadecylurea
CID 54170703
benzyl 2-[[2-(decylcarbamoylamino)acetyl]amino]acetate
CID 71063307
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
ethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate
CID 103603734

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(hexylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(hexylcarbamoylamino)acetate (CID 60648696) is ethyl 2-(hexylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(hexylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(hexylcarbamoylamino)acetate is CCCCCCNC(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-(hexylcarbamoylamino)acetate?
The InChIKey is GEMVWPUOTHWXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-5-6-7-8-12-11(15)13-9-10(14)16-4-2/h3-9H2,1-2H3,(H2,12,13,15).
What are the key properties of ethyl 2-(hexylcarbamoylamino)acetate?
ethyl 2-(hexylcarbamoylamino)acetate has a molecular weight of 230.31 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(hexylcarbamoylamino)acetate is sourced from PubChem (CID 60648696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).