N-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide

C19H22N2O4 — CID 50967845

IUPACN-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide
SMILESC=CCN(Cc1ccco1)C(=O)CC(=O)Nc1ccccc1OCC
InChIInChI=1S/C19H22N2O4/c1-3-11-21(14-15-8-7-12-25-15)19(23)13-18(22)20-16-9-5-6-10-17(16)24-4-2/h3,5-10,12H,1,4,11,13-14H2,2H3,(H,20,22)
InChIKeyIJXGEBLZSMDCNQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.22
Rot. Bonds9

About N-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide

N-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide (PubChem CID 50967845) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide
PubChem CID50967845
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide
SMILESC=CCN(Cc1ccco1)C(=O)CC(=O)Nc1ccccc1OCC
InChIInChI=1S/C19H22N2O4/c1-3-11-21(14-15-8-7-12-25-15)19(23)13-18(22)20-16-9-5-6-10-17(16)24-4-2/h3,5-10,12H,1,4,11,13-14H2,2H3,(H,20,22)
InChIKeyIJXGEBLZSMDCNQ-UHFFFAOYSA-N
XLogP3.22
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethoxyphenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3305402
N-(2-ethoxyphenyl)-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150359
3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115644
N-(2-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138557
ethyl N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]carbamate
CID 9438034
3-(2-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-[(4-methylphenyl)methyl]thiourea
CID 5170461
[5-[[(2-ethoxyphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate
CID 4537719
N-benzyl-2-[(4-ethoxyphenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)acetamide
CID 3928097
1-[(2,3-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)-1-(furan-2-ylmethyl)thiourea
CID 4232688
4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide
CID 50963271
3-(furan-2-yl)-N-(2-propoxyphenyl)propanamide
CID 78772786
N-cyclopropyl-4-[[[2-(2-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30798223

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide?
The IUPAC name of N-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide (CID 50967845) is N-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide is C=CCN(Cc1ccco1)C(=O)CC(=O)Nc1ccccc1OCC.
What is the InChIKey of N-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide?
The InChIKey is IJXGEBLZSMDCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-11-21(14-15-8-7-12-25-15)19(23)13-18(22)20-16-9-5-6-10-17(16)24-4-2/h3,5-10,12H,1,4,11,13-14H2,2H3,(H,20,22).
What are the key properties of N-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide?
N-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide has a molecular weight of 342.40 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide is sourced from PubChem (CID 50967845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).