N-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide

C20H18N2O4 — CID 108945159

IUPACN-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Oc2ccccc2)cc1)NCc1ccco1
InChIInChI=1S/C20H18N2O4/c23-19(21-14-18-7-4-12-25-18)13-20(24)22-15-8-10-17(11-9-15)26-16-5-2-1-3-6-16/h1-12H,13-14H2,(H,21,23)(H,22,24)
InChIKeyROOOCSKXANMJLH-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.72
Rot. Bonds7

About N-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide

N-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide (PubChem CID 108945159) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide
PubChem CID108945159
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Oc2ccccc2)cc1)NCc1ccco1
InChIInChI=1S/C20H18N2O4/c23-19(21-14-18-7-4-12-25-18)13-20(24)22-15-8-10-17(11-9-15)26-16-5-2-1-3-6-16/h1-12H,13-14H2,(H,21,23)(H,22,24)
InChIKeyROOOCSKXANMJLH-UHFFFAOYSA-N
XLogP3.72
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54818844
N-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 9458134
N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222820
2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109303381
N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide
CID 108945142
N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835371
1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea
CID 7944393
N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide
CID 26242410
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-phenoxyacetamide
CID 652012
N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945134
1-N-(furan-2-ylmethyl)-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974663

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide (CID 108945159) is N-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide is O=C(CC(=O)Nc1ccc(Oc2ccccc2)cc1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide?
The InChIKey is ROOOCSKXANMJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-19(21-14-18-7-4-12-25-18)13-20(24)22-15-8-10-17(11-9-15)26-16-5-2-1-3-6-16/h1-12H,13-14H2,(H,21,23)(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide?
N-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide has a molecular weight of 350.37 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide is sourced from PubChem (CID 108945159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).