methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate

C16H19NO3 — CID 62304868

IUPACmethyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate
SMILESCCC(NCc1ccc(C(=O)OC)o1)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-3-14(12-7-5-4-6-8-12)17-11-13-9-10-15(20-13)16(18)19-2/h4-10,14,17H,3,11H2,1-2H3
InChIKeyGGDQGKQRQHXECS-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.31
Rot. Bonds6

About methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate

methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate (PubChem CID 62304868) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate
PubChem CID62304868
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate
SMILESCCC(NCc1ccc(C(=O)OC)o1)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-3-14(12-7-5-4-6-8-12)17-11-13-9-10-15(20-13)16(18)19-2/h4-10,14,17H,3,11H2,1-2H3
InChIKeyGGDQGKQRQHXECS-UHFFFAOYSA-N
XLogP3.31
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(butan-2-ylamino)methyl]furan-2-carboxylate chloride
CID 53314358
methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65314992
methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
CID 115279422
methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
CID 43218635
methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81354745
methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
CID 43219084
N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide
CID 62049518
methyl 5-[(2-ethylsulfanylanilino)methyl]furan-2-carboxylate
CID 60936456
methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate
CID 43234866
methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate
CID 81405878
methyl 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81367481
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate (CID 62304868) is methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate is CCC(NCc1ccc(C(=O)OC)o1)c1ccccc1.
What is the InChIKey of methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate?
The InChIKey is GGDQGKQRQHXECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-14(12-7-5-4-6-8-12)17-11-13-9-10-15(20-13)16(18)19-2/h4-10,14,17H,3,11H2,1-2H3.
What are the key properties of methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate?
methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 62304868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).