methyl 1-aminocyclohexane-1-carboxylate;methyl 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylate

C23H37N3O6 — CID 161049648

IUPACmethyl 1-aminocyclohexane-1-carboxylate;methyl 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCCC1.COC(=O)C1(NC(=O)N(C)Cc2ccco2)CCCCC1
InChIInChI=1S/C15H22N2O4.C8H15NO2/c1-17(11-12-7-6-10-21-12)14(19)16-15(13(18)20-2)8-4-3-5-9-15;1-11-7(10)8(9)5-3-2-4-6-8/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,19);2-6,9H2,1H3
InChIKeyUBYQNWNETFDUKA-UHFFFAOYSA-N
MW451.56 g/mol
LogP3.12
Rot. Bonds5

About methyl 1-aminocyclohexane-1-carboxylate;methyl 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylate

methyl 1-aminocyclohexane-1-carboxylate;methyl 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylate (PubChem CID 161049648) has the molecular formula C23H37N3O6 and a molecular weight of 451.56 g/mol. Its IUPAC name is methyl 1-aminocyclohexane-1-carboxylate;methyl 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-aminocyclohexane-1-carboxylate;methyl 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylate
PubChem CID161049648
Molecular FormulaC23H37N3O6
Molecular Weight451.56 g/mol
Exact Mass451.27
IUPAC Namemethyl 1-aminocyclohexane-1-carboxylate;methyl 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCCC1.COC(=O)C1(NC(=O)N(C)Cc2ccco2)CCCCC1
InChIInChI=1S/C15H22N2O4.C8H15NO2/c1-17(11-12-7-6-10-21-12)14(19)16-15(13(18)20-2)8-4-3-5-9-15;1-11-7(10)8(9)5-3-2-4-6-8/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,19);2-6,9H2,1H3
InChIKeyUBYQNWNETFDUKA-UHFFFAOYSA-N
XLogP3.12
TPSA124.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 1-aminocyclohexane-1-carboxylate;methyl 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61197524
1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163076
1-(furan-2-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(furan-2-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 158095708
2-(1-aminocyclohexyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 64683581
1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434026
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496
1-amino-N-cyclopentyl-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 60940015
1-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide
CID 80587658
methyl 1-[3-(2-aminophenyl)propanoylamino]cycloheptane-1-carboxylate
CID 120608576
methyl 1-[(2-aminobenzoyl)amino]cyclohexane-1-carboxylate
CID 139798702
1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 81179466

Frequently Asked Questions

What is the IUPAC name of methyl 1-aminocyclohexane-1-carboxylate;methyl 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-aminocyclohexane-1-carboxylate;methyl 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylate (CID 161049648) is methyl 1-aminocyclohexane-1-carboxylate;methyl 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-aminocyclohexane-1-carboxylate;methyl 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-aminocyclohexane-1-carboxylate;methyl 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(N)CCCCC1.COC(=O)C1(NC(=O)N(C)Cc2ccco2)CCCCC1.
What is the InChIKey of methyl 1-aminocyclohexane-1-carboxylate;methyl 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylate?
The InChIKey is UBYQNWNETFDUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4.C8H15NO2/c1-17(11-12-7-6-10-21-12)14(19)16-15(13(18)20-2)8-4-3-5-9-15;1-11-7(10)8(9)5-3-2-4-6-8/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,19);2-6,9H2,1H3.
What are the key properties of methyl 1-aminocyclohexane-1-carboxylate;methyl 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylate?
methyl 1-aminocyclohexane-1-carboxylate;methyl 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylate has a molecular weight of 451.56 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-aminocyclohexane-1-carboxylate;methyl 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 161049648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).