methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate

C15H23NO4 — CID 79091127

IUPACmethyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N(C)CC2CCCOC2)o1
InChIInChI=1S/C15H23NO4/c1-11(13-6-7-14(20-13)15(17)18-3)16(2)9-12-5-4-8-19-10-12/h6-7,11-12H,4-5,8-10H2,1-3H3
InChIKeySQLDDJVJKULHPE-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.49
Rot. Bonds5

About methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate

methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate (PubChem CID 79091127) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate
PubChem CID79091127
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N(C)CC2CCCOC2)o1
InChIInChI=1S/C15H23NO4/c1-11(13-6-7-14(20-13)15(17)18-3)16(2)9-12-5-4-8-19-10-12/h6-7,11-12H,4-5,8-10H2,1-3H3
InChIKeySQLDDJVJKULHPE-UHFFFAOYSA-N
XLogP2.49
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate
CID 79090070
methyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate
CID 107399553
methyl 3-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63713446
methyl 5-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]furan-2-carboxylate
CID 79084990
5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol
CID 82980691
methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate
CID 79083634
methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate
CID 79084264
4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline
CID 63726580
2-methoxy-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 115618168
methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 103722513
methyl 4-[2-(oxan-3-ylmethylamino)-2-oxoethyl]benzoate
CID 122151417
methyl 4-[2-[[(3R)-oxan-3-yl]methylamino]-2-oxoethyl]benzoate
CID 125144263

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate (CID 79091127) is methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)N(C)CC2CCCOC2)o1.
What is the InChIKey of methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate?
The InChIKey is SQLDDJVJKULHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(13-6-7-14(20-13)15(17)18-3)16(2)9-12-5-4-8-19-10-12/h6-7,11-12H,4-5,8-10H2,1-3H3.
What are the key properties of methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate has a molecular weight of 281.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 79091127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).