ethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate

C18H34N2O4 — CID 114267995

IUPACethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(NCC(C)N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H34N2O4/c1-7-23-16(21)14-9-8-10-15(11-14)19-12-13(2)20(6)17(22)24-18(3,4)5/h13-15,19H,7-12H2,1-6H3
InChIKeyZNWRWJUQCZCRCH-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.95
Rot. Bonds6

About ethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate

ethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate (PubChem CID 114267995) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is ethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate
PubChem CID114267995
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC Nameethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(NCC(C)N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H34N2O4/c1-7-23-16(21)14-9-8-10-15(11-14)19-12-13(2)20(6)17(22)24-18(3,4)5/h13-15,19H,7-12H2,1-6H3
InChIKeyZNWRWJUQCZCRCH-UHFFFAOYSA-N
XLogP2.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

ethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate
CID 104879694
ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate
CID 107236708
methyl 3-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]cyclohexane-1-carboxylate
CID 112753638
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate
CID 20698001
ethyl 3-(2-prop-2-ynylsulfanylethylamino)cyclohexane-1-carboxylate
CID 104879739
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
1-O-ethyl 3-O-methyl cyclohexane-1,3-dicarboxylate
CID 66983859
ethyl 4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate
CID 113352339
tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate
CID 107255742
1-O-tert-butyl 3-O-(2-methylpropyl) cyclohexane-1,3-dicarboxylate
CID 66984015
ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 135076172
ethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate
CID 106235025

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate (CID 114267995) is ethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate is CCOC(=O)C1CCCC(NCC(C)N(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of ethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate?
The InChIKey is ZNWRWJUQCZCRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O4/c1-7-23-16(21)14-9-8-10-15(11-14)19-12-13(2)20(6)17(22)24-18(3,4)5/h13-15,19H,7-12H2,1-6H3.
What are the key properties of ethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate?
ethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate has a molecular weight of 342.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 114267995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).