(4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium

C18H24N3O4+ — CID 8024025

IUPAC(4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H23N3O4/c1-3-24-15-8-6-14(7-9-15)12-21(2)13-17(22)20-18(23)19-11-16-5-4-10-25-16/h4-10H,3,11-13H2,1-2H3,(H2,19,20,22,23)/p+1
InChIKeyCFSFAHWVPMMACH-UHFFFAOYSA-O
MW346.41 g/mol
LogP0.72
Rot. Bonds8

About (4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium

(4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium (PubChem CID 8024025) has the molecular formula C18H24N3O4+ and a molecular weight of 346.41 g/mol. Its IUPAC name is (4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium
PubChem CID8024025
Molecular FormulaC18H24N3O4+
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name(4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H23N3O4/c1-3-24-15-8-6-14(7-9-15)12-21(2)13-17(22)20-18(23)19-11-16-5-4-10-25-16/h4-10H,3,11-13H2,1-2H3,(H2,19,20,22,23)/p+1
InChIKeyCFSFAHWVPMMACH-UHFFFAOYSA-O
XLogP0.72
TPSA85.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 4818761
[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333787
3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 19225996
[2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 2462349
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933
5-[(4-ethoxyphenoxy)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 19413326
2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 9401109
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590459
2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702
2-(dipropylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 43061736
butyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate
CID 7984445
2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2707681

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of (4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium (CID 8024025) is (4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium is CCOc1ccc(C[NH+](C)CC(=O)NC(=O)NCc2ccco2)cc1.
What is the InChIKey of (4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium?
The InChIKey is CFSFAHWVPMMACH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N3O4/c1-3-24-15-8-6-14(7-9-15)12-21(2)13-17(22)20-18(23)19-11-16-5-4-10-25-16/h4-10H,3,11-13H2,1-2H3,(H2,19,20,22,23)/p+1.
What are the key properties of (4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium?
(4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium has a molecular weight of 346.41 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8024025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).