methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate

C15H22N2O4 — CID 103242653

IUPACmethyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NC2CCC(C(N)=O)CC2)o1
InChIInChI=1S/C15H22N2O4/c1-9(12-7-8-13(21-12)15(19)20-2)17-11-5-3-10(4-6-11)14(16)18/h7-11,17H,3-6H2,1-2H3,(H2,16,18)
InChIKeyKBWQAUBKEBSNMX-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.76
Rot. Bonds5

About methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate

methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate (PubChem CID 103242653) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate
PubChem CID103242653
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NC2CCC(C(N)=O)CC2)o1
InChIInChI=1S/C15H22N2O4/c1-9(12-7-8-13(21-12)15(19)20-2)17-11-5-3-10(4-6-11)14(16)18/h7-11,17H,3-6H2,1-2H3,(H2,16,18)
InChIKeyKBWQAUBKEBSNMX-UHFFFAOYSA-N
XLogP1.76
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate
CID 103246667
methyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate
CID 103258490
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748795
4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43791667
methyl 5-[1-[(2-phenylcyclopropyl)amino]ethyl]furan-2-carboxylate
CID 103244659
methyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate
CID 103263647
5-[1-[(1-oxothian-4-yl)amino]ethyl]furan-2-carboxylic acid
CID 103264882
[(1S)-1-(5-methoxycarbonylfuran-2-yl)ethyl]-trimethylazanium
CID 919267
4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748803
4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide
CID 115889950
methyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate
CID 79085101

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate (CID 103242653) is methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)NC2CCC(C(N)=O)CC2)o1.
What is the InChIKey of methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate?
The InChIKey is KBWQAUBKEBSNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-9(12-7-8-13(21-12)15(19)20-2)17-11-5-3-10(4-6-11)14(16)18/h7-11,17H,3-6H2,1-2H3,(H2,16,18).
What are the key properties of methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 103242653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).