methyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate

C15H19NO4 — CID 114820388

IUPACmethyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate
SMILESCCCNC(c1coc(C)c1)c1ccc(C(=O)OC)o1
InChIInChI=1S/C15H19NO4/c1-4-7-16-14(11-8-10(2)19-9-11)12-5-6-13(20-12)15(17)18-3/h5-6,8-9,14,16H,4,7H2,1-3H3
InChIKeyLNTGQPJNHKDEOO-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.06
Rot. Bonds6

About methyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate

methyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate (PubChem CID 114820388) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate
PubChem CID114820388
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate
SMILESCCCNC(c1coc(C)c1)c1ccc(C(=O)OC)o1
InChIInChI=1S/C15H19NO4/c1-4-7-16-14(11-8-10(2)19-9-11)12-5-6-13(20-12)15(17)18-3/h5-6,8-9,14,16H,4,7H2,1-3H3
InChIKeyLNTGQPJNHKDEOO-UHFFFAOYSA-N
XLogP3.06
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820178
methyl 5-[(2,5-dichlorothiophen-3-yl)-(propylamino)methyl]furan-2-carboxylate
CID 107961236
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820177
N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 103435182
N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820042
methyl 5-[2-methylsulfonyl-1-(propylamino)propyl]furan-2-carboxylate
CID 104519069
methyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate
CID 107001357
N-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820154
methyl 5-[1-(propylamino)-2-(2,2,2-trifluoroethoxy)ethyl]furan-2-carboxylate
CID 103207844
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761
methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate
CID 103246824
N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 105025942

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate (CID 114820388) is methyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate is CCCNC(c1coc(C)c1)c1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate?
The InChIKey is LNTGQPJNHKDEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-7-16-14(11-8-10(2)19-9-11)12-5-6-13(20-12)15(17)18-3/h5-6,8-9,14,16H,4,7H2,1-3H3.
What are the key properties of methyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate?
methyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 114820388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).