methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate

C15H23NO3 — CID 64743370

IUPACmethyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate
SMILESCCC1CCCC(NCc2ccc(C(=O)OC)o2)C1
InChIInChI=1S/C15H23NO3/c1-3-11-5-4-6-12(9-11)16-10-13-7-8-14(19-13)15(17)18-2/h7-8,11-12,16H,3-6,9-10H2,1-2H3
InChIKeyHTCVNBWIKXHRMY-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.12
Rot. Bonds5

About methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate

methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate (PubChem CID 64743370) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate
PubChem CID64743370
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate
SMILESCCC1CCCC(NCc2ccc(C(=O)OC)o2)C1
InChIInChI=1S/C15H23NO3/c1-3-11-5-4-6-12(9-11)16-10-13-7-8-14(19-13)15(17)18-2/h7-8,11-12,16H,3-6,9-10H2,1-2H3
InChIKeyHTCVNBWIKXHRMY-UHFFFAOYSA-N
XLogP3.12
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate
CID 65471978
methyl 5-[(thian-3-ylamino)methyl]furan-2-carboxylate
CID 115882141
methyl 4-[[(3-ethylcyclohexyl)amino]methyl]-2-fluorobenzoate
CID 106700127
methyl 2-[[(3-ethylcyclohexyl)amino]methyl]benzoate
CID 64741423
methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate
CID 62396348
N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 79983701
methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate
CID 64922524
methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate
CID 55246254
2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122042779
methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate
CID 107239036
3-ethyl-N-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine
CID 64500285

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate (CID 64743370) is methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate is CCC1CCCC(NCc2ccc(C(=O)OC)o2)C1.
What is the InChIKey of methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate?
The InChIKey is HTCVNBWIKXHRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-11-5-4-6-12(9-11)16-10-13-7-8-14(19-13)15(17)18-2/h7-8,11-12,16H,3-6,9-10H2,1-2H3.
What are the key properties of methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate?
methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 64743370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).