ethyl 2-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate

C18H32N2O5 — CID 164674766

IUPACethyl 2-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O5/c1-5-24-15(21)12-19-16(22)14(11-13-9-7-6-8-10-13)20-17(23)25-18(2,3)4/h13-14H,5-12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyDKAUWKXSEYCETJ-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.53
Rot. Bonds7

About ethyl 2-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate

ethyl 2-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate (PubChem CID 164674766) has the molecular formula C18H32N2O5 and a molecular weight of 356.46 g/mol. Its IUPAC name is ethyl 2-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
PubChem CID164674766
Molecular FormulaC18H32N2O5
Molecular Weight356.46 g/mol
Exact Mass356.23
IUPAC Nameethyl 2-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O5/c1-5-24-15(21)12-19-16(22)14(11-13-9-7-6-8-10-13)20-17(23)25-18(2,3)4/h13-14H,5-12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyDKAUWKXSEYCETJ-UHFFFAOYSA-N
XLogP2.53
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate (CID 164674766) is ethyl 2-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate is CCOC(=O)CNC(=O)C(CC1CCCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate?
The InChIKey is DKAUWKXSEYCETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O5/c1-5-24-15(21)12-19-16(22)14(11-13-9-7-6-8-10-13)20-17(23)25-18(2,3)4/h13-14H,5-12H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of ethyl 2-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate?
ethyl 2-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate has a molecular weight of 356.46 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate is sourced from PubChem (CID 164674766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).