methyl 3-[1-(furan-2-yl)propylamino]benzoate

C15H17NO3 — CID 62632863

IUPACmethyl 3-[1-(furan-2-yl)propylamino]benzoate
SMILESCCC(Nc1cccc(C(=O)OC)c1)c1ccco1
InChIInChI=1S/C15H17NO3/c1-3-13(14-8-5-9-19-14)16-12-7-4-6-11(10-12)15(17)18-2/h4-10,13,16H,3H2,1-2H3
InChIKeyDDVMPGUYQOXVGP-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.63
Rot. Bonds5

About methyl 3-[1-(furan-2-yl)propylamino]benzoate

methyl 3-[1-(furan-2-yl)propylamino]benzoate (PubChem CID 62632863) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 3-[1-(furan-2-yl)propylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[1-(furan-2-yl)propylamino]benzoate
PubChem CID62632863
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 3-[1-(furan-2-yl)propylamino]benzoate
SMILESCCC(Nc1cccc(C(=O)OC)c1)c1ccco1
InChIInChI=1S/C15H17NO3/c1-3-13(14-8-5-9-19-14)16-12-7-4-6-11(10-12)15(17)18-2/h4-10,13,16H,3H2,1-2H3
InChIKeyDDVMPGUYQOXVGP-UHFFFAOYSA-N
XLogP3.63
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62631964
N-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide
CID 62631438
3-[1-(furan-2-yl)propylamino]benzenesulfonamide
CID 62634130
methyl 3-(furan-2-ylcarbamoylamino)benzoate
CID 108868628
methyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate
CID 19232966
methyl 3-(2,6-dimethylheptan-4-ylamino)benzoate
CID 43321744
methyl 3-(2-ethylbutanoylamino)benzoate
CID 43404089
methyl 3-[[(2S)-1-aminopropan-2-yl]amino]benzoate
CID 178109446
methyl 3-(1-methoxypropan-2-ylamino)benzoate
CID 62536226
methyl 3-(furan-2-carbonylcarbamoylamino)benzoate
CID 2806361
N-cyclopropyl-4-[1-(furan-2-yl)propylamino]benzamide
CID 62631452
methyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316702

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(furan-2-yl)propylamino]benzoate?
The IUPAC name of methyl 3-[1-(furan-2-yl)propylamino]benzoate (CID 62632863) is methyl 3-[1-(furan-2-yl)propylamino]benzoate.
What is the SMILES notation for methyl 3-[1-(furan-2-yl)propylamino]benzoate?
The canonical SMILES for methyl 3-[1-(furan-2-yl)propylamino]benzoate is CCC(Nc1cccc(C(=O)OC)c1)c1ccco1.
What is the InChIKey of methyl 3-[1-(furan-2-yl)propylamino]benzoate?
The InChIKey is DDVMPGUYQOXVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-13(14-8-5-9-19-14)16-12-7-4-6-11(10-12)15(17)18-2/h4-10,13,16H,3H2,1-2H3.
What are the key properties of methyl 3-[1-(furan-2-yl)propylamino]benzoate?
methyl 3-[1-(furan-2-yl)propylamino]benzoate has a molecular weight of 259.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(furan-2-yl)propylamino]benzoate is sourced from PubChem (CID 62632863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).