methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate

C15H25NO3 — CID 103253848

IUPACmethyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate
SMILESCCC(CC)(CC)NC(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C15H25NO3/c1-6-15(7-2,8-3)16-11(4)12-9-10-13(19-12)14(17)18-5/h9-11,16H,6-8H2,1-5H3
InChIKeyUTVQIUULWLKIMX-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.69
Rot. Bonds7

About methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate

methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate (PubChem CID 103253848) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate
PubChem CID103253848
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namemethyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate
SMILESCCC(CC)(CC)NC(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C15H25NO3/c1-6-15(7-2,8-3)16-11(4)12-9-10-13(19-12)14(17)18-5/h9-11,16H,6-8H2,1-5H3
InChIKeyUTVQIUULWLKIMX-UHFFFAOYSA-N
XLogP3.69
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]ethyl]furan-2-carboxylic acid
CID 107866396
methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate
CID 114169679
methyl 5-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]ethyl]furan-2-carboxylate
CID 103260398
methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate
CID 103230134
methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate
CID 103245777
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761
methyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate
CID 106294446
methyl 5-(1-propylsulfanylethyl)furan-2-carboxylate
CID 79083901
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[1-(1-hydroxypentan-3-ylamino)ethyl]furan-2-carboxylate
CID 103267752
methyl 5-[1-(pent-1-yn-3-ylamino)ethyl]furan-2-carboxylate
CID 106231812
methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate
CID 82003998

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate (CID 103253848) is methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate is CCC(CC)(CC)NC(C)c1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate?
The InChIKey is UTVQIUULWLKIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-6-15(7-2,8-3)16-11(4)12-9-10-13(19-12)14(17)18-5/h9-11,16H,6-8H2,1-5H3.
What are the key properties of methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate?
methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate is sourced from PubChem (CID 103253848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).