methyl 2-amino-4-[3-(4-ethoxycarbonylphenyl)propyl]furan-3-carboxylate

C18H21NO5 — CID 19788703

IUPACmethyl 2-amino-4-[3-(4-ethoxycarbonylphenyl)propyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccc(CCCc2coc(N)c2C(=O)OC)cc1
InChIInChI=1S/C18H21NO5/c1-3-23-17(20)13-9-7-12(8-10-13)5-4-6-14-11-24-16(19)15(14)18(21)22-2/h7-11H,3-6,19H2,1-2H3
InChIKeyNITOJCPJJFEPIT-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.00
Rot. Bonds7

About methyl 2-amino-4-[3-(4-ethoxycarbonylphenyl)propyl]furan-3-carboxylate

methyl 2-amino-4-[3-(4-ethoxycarbonylphenyl)propyl]furan-3-carboxylate (PubChem CID 19788703) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 2-amino-4-[3-(4-ethoxycarbonylphenyl)propyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-[3-(4-ethoxycarbonylphenyl)propyl]furan-3-carboxylate
PubChem CID19788703
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Namemethyl 2-amino-4-[3-(4-ethoxycarbonylphenyl)propyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccc(CCCc2coc(N)c2C(=O)OC)cc1
InChIInChI=1S/C18H21NO5/c1-3-23-17(20)13-9-7-12(8-10-13)5-4-6-14-11-24-16(19)15(14)18(21)22-2/h7-11H,3-6,19H2,1-2H3
InChIKeyNITOJCPJJFEPIT-UHFFFAOYSA-N
XLogP3.00
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate
CID 19788710
ethyl 2-amino-4-[2-(4-ethoxycarbonylphenyl)ethyl]furan-3-carboxylate
CID 19788701
4-[2-(5-amino-4-methoxycarbonylfuran-3-yl)ethyl]benzoic acid
CID 67881333
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
ethyl 4-octylbenzoate
CID 19591720
ethyl 4-(2-hydroxyethyl)benzoate
CID 23020689
ethyl 4-[3-(dimethylamino)propyl]benzoate
CID 22908170
ethyl 4-(4,4-dimethylpentyl)benzoate
CID 59479842
ethyl 4-(4-heptylphenyl)benzoate
CID 146004855
ethyl 4-(3-methylbut-3-enyl)benzoate
CID 24721809
methyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate
CID 67764675
methyl 4-[3-(4-fluorophenyl)propyl]benzoate
CID 58531347

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[3-(4-ethoxycarbonylphenyl)propyl]furan-3-carboxylate?
The IUPAC name of methyl 2-amino-4-[3-(4-ethoxycarbonylphenyl)propyl]furan-3-carboxylate (CID 19788703) is methyl 2-amino-4-[3-(4-ethoxycarbonylphenyl)propyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-[3-(4-ethoxycarbonylphenyl)propyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-[3-(4-ethoxycarbonylphenyl)propyl]furan-3-carboxylate is CCOC(=O)c1ccc(CCCc2coc(N)c2C(=O)OC)cc1.
What is the InChIKey of methyl 2-amino-4-[3-(4-ethoxycarbonylphenyl)propyl]furan-3-carboxylate?
The InChIKey is NITOJCPJJFEPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-3-23-17(20)13-9-7-12(8-10-13)5-4-6-14-11-24-16(19)15(14)18(21)22-2/h7-11H,3-6,19H2,1-2H3.
What are the key properties of methyl 2-amino-4-[3-(4-ethoxycarbonylphenyl)propyl]furan-3-carboxylate?
methyl 2-amino-4-[3-(4-ethoxycarbonylphenyl)propyl]furan-3-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[3-(4-ethoxycarbonylphenyl)propyl]furan-3-carboxylate is sourced from PubChem (CID 19788703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).