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

C15H23NO3 — CID 107399553

IUPACmethyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate
SMILESCCN(CC1CCC1)C(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C15H23NO3/c1-4-16(10-12-6-5-7-12)11(2)13-8-9-14(19-13)15(17)18-3/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyYTOCOSFYALPHIT-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.25
Rot. Bonds6

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

methyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate (PubChem CID 107399553) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate
PubChem CID107399553
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate
SMILESCCN(CC1CCC1)C(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C15H23NO3/c1-4-16(10-12-6-5-7-12)11(2)13-8-9-14(19-13)15(17)18-3/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyYTOCOSFYALPHIT-UHFFFAOYSA-N
XLogP3.25
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]furan-2-carboxylate
CID 79084990
methyl 5-[1-[(2-amino-2-oxoethyl)-ethylamino]ethyl]furan-2-carboxylate
CID 103102938
methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate
CID 79091127
5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79090935
methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate
CID 79083634
methyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate
CID 79085101
methyl 5-[1-[methyl(thiolan-3-yl)amino]ethyl]furan-2-carboxylate
CID 79084096
methyl 5-(1-propylsulfanylethyl)furan-2-carboxylate
CID 79083901
methyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate
CID 79090070
methyl 5-(1-butylsulfanylethyl)furan-2-carboxylate
CID 112726651
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
ethyl 5-[1-(diethylamino)ethyl]furan-2-carboxylate;iodomethane
CID 126477205

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate (CID 107399553) is methyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate is CCN(CC1CCC1)C(C)c1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate?
The InChIKey is YTOCOSFYALPHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-16(10-12-6-5-7-12)11(2)13-8-9-14(19-13)15(17)18-3/h8-9,11-12H,4-7,10H2,1-3H3.
What are the key properties of methyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 107399553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).