methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate

C15H17NO3 — CID 83320549

IUPACmethyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate
SMILESCOC(=O)CC(NCc1ccco1)c1ccccc1
InChIInChI=1S/C15H17NO3/c1-18-15(17)10-14(12-6-3-2-4-7-12)16-11-13-8-5-9-19-13/h2-9,14,16H,10-11H2,1H3
InChIKeyBYTPKTVQGZMVLF-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.67
Rot. Bonds6

About methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate

methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate (PubChem CID 83320549) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate
PubChem CID83320549
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate
SMILESCOC(=O)CC(NCc1ccco1)c1ccccc1
InChIInChI=1S/C15H17NO3/c1-18-15(17)10-14(12-6-3-2-4-7-12)16-11-13-8-5-9-19-13/h2-9,14,16H,10-11H2,1H3
InChIKeyBYTPKTVQGZMVLF-UHFFFAOYSA-N
XLogP2.67
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate
CID 139997097
methyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate
CID 134162015
N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516
1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine
CID 101448203
methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54809598
methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate
CID 65235244
methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate
CID 115461702
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
N-benzhydryl-2-(furan-2-ylmethylamino)acetamide
CID 1459234
2-(furan-2-ylmethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 84749415

Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate?
The IUPAC name of methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate (CID 83320549) is methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate.
What is the SMILES notation for methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate?
The canonical SMILES for methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate is COC(=O)CC(NCc1ccco1)c1ccccc1.
What is the InChIKey of methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate?
The InChIKey is BYTPKTVQGZMVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-15(17)10-14(12-6-3-2-4-7-12)16-11-13-8-5-9-19-13/h2-9,14,16H,10-11H2,1H3.
What are the key properties of methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate?
methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate has a molecular weight of 259.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate is sourced from PubChem (CID 83320549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).