N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide

C18H22N2O5 — CID 108945055

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide
SMILESCOc1ccc(CCNC(=O)CC(=O)NCc2ccco2)cc1OC
InChIInChI=1S/C18H22N2O5/c1-23-15-6-5-13(10-16(15)24-2)7-8-19-17(21)11-18(22)20-12-14-4-3-9-25-14/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXSYXMOSZTLSTTO-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.66
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide (PubChem CID 108945055) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide
PubChem CID108945055
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide
SMILESCOc1ccc(CCNC(=O)CC(=O)NCc2ccco2)cc1OC
InChIInChI=1S/C18H22N2O5/c1-23-15-6-5-13(10-16(15)24-2)7-8-19-17(21)11-18(22)20-12-14-4-3-9-25-14/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXSYXMOSZTLSTTO-UHFFFAOYSA-N
XLogP1.66
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035892
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 2954103
1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217080
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 122169377
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 126417608
(3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide
CID 6283145
2-[[N-[(3,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 111201806
3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 83461576
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326799
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea
CID 108868367
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 113122049
1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea
CID 39977410

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide (CID 108945055) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide is COc1ccc(CCNC(=O)CC(=O)NCc2ccco2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide?
The InChIKey is XSYXMOSZTLSTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-23-15-6-5-13(10-16(15)24-2)7-8-19-17(21)11-18(22)20-12-14-4-3-9-25-14/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide has a molecular weight of 346.38 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide is sourced from PubChem (CID 108945055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).