cyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium

C17H20NO3+ — CID 8617769

IUPACcyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium
SMILESCCOC(=O)c1ccc(-c2ccc(C[NH2+]C3CC3)o2)cc1
InChIInChI=1S/C17H19NO3/c1-2-20-17(19)13-5-3-12(4-6-13)16-10-9-15(21-16)11-18-14-7-8-14/h3-6,9-10,14,18H,2,7-8,11H2,1H3/p+1
InChIKeyAVZPDGKSXQLVST-UHFFFAOYSA-O
MW286.35 g/mol
LogP2.35
Rot. Bonds6

About cyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium

cyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium (PubChem CID 8617769) has the molecular formula C17H20NO3+ and a molecular weight of 286.35 g/mol. Its IUPAC name is cyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium
PubChem CID8617769
Molecular FormulaC17H20NO3+
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Namecyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium
SMILESCCOC(=O)c1ccc(-c2ccc(C[NH2+]C3CC3)o2)cc1
InChIInChI=1S/C17H19NO3/c1-2-20-17(19)13-5-3-12(4-6-13)16-10-9-15(21-16)11-18-14-7-8-14/h3-6,9-10,14,18H,2,7-8,11H2,1H3/p+1
InChIKeyAVZPDGKSXQLVST-UHFFFAOYSA-O
XLogP2.35
TPSA56.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate
CID 4722679
ethyl 4-[5-[(cyclohexylamino)methyl]furan-2-yl]benzoate
CID 4722636
ethyl 4-[5-[(cycloheptylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17331161
[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium
CID 8617875
[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium
CID 8638620
ethyl 4-(5-sulfanylfuran-2-yl)benzoate
CID 139299977
ethyl 4-[5-[[2-(2-hydroxypropylamino)ethylamino]methyl]furan-2-yl]benzoate;dihydrochloride
CID 17331156
ethyl 4-[5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17331166
2-(3,4-dimethoxyphenyl)ethyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8617227
ethyl 4-[5-[[2-(diethylamino)ethylamino]methyl]furan-2-yl]benzoate;dihydrochloride
CID 17331159
ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate
CID 3131522
1-adamantyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8636389

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium?
The IUPAC name of cyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium (CID 8617769) is cyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium.
What is the SMILES notation for cyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium?
The canonical SMILES for cyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium is CCOC(=O)c1ccc(-c2ccc(C[NH2+]C3CC3)o2)cc1.
What is the InChIKey of cyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium?
The InChIKey is AVZPDGKSXQLVST-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19NO3/c1-2-20-17(19)13-5-3-12(4-6-13)16-10-9-15(21-16)11-18-14-7-8-14/h3-6,9-10,14,18H,2,7-8,11H2,1H3/p+1.
What are the key properties of cyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium?
cyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium has a molecular weight of 286.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium is sourced from PubChem (CID 8617769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).