N-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide

C25H29N3O3 — CID 47076551

IUPACN-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide
SMILESCCN(CC)Cc1ccc(C(=O)NC(C)c2cccc(NC(=O)c3ccccc3)c2)o1
InChIInChI=1S/C25H29N3O3/c1-4-28(5-2)17-22-14-15-23(31-22)25(30)26-18(3)20-12-9-13-21(16-20)27-24(29)19-10-7-6-8-11-19/h6-16,18H,4-5,17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyAGTHXGKYOPQBMG-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.86
Rot. Bonds9

About N-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide

N-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide (PubChem CID 47076551) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide
PubChem CID47076551
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide
SMILESCCN(CC)Cc1ccc(C(=O)NC(C)c2cccc(NC(=O)c3ccccc3)c2)o1
InChIInChI=1S/C25H29N3O3/c1-4-28(5-2)17-22-14-15-23(31-22)25(30)26-18(3)20-12-9-13-21(16-20)27-24(29)19-10-7-6-8-11-19/h6-16,18H,4-5,17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyAGTHXGKYOPQBMG-UHFFFAOYSA-N
XLogP4.86
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide
CID 55693793
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide
CID 51725330
N-[1-(3-benzamidophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60596568
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 43170259
N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide
CID 46464519
N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
CID 7482215
N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide
CID 87003801
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide
CID 46465115
3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
CID 55645545
N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide
CID 95979650

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide (CID 47076551) is N-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide is CCN(CC)Cc1ccc(C(=O)NC(C)c2cccc(NC(=O)c3ccccc3)c2)o1.
What is the InChIKey of N-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide?
The InChIKey is AGTHXGKYOPQBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-4-28(5-2)17-22-14-15-23(31-22)25(30)26-18(3)20-12-9-13-21(16-20)27-24(29)19-10-7-6-8-11-19/h6-16,18H,4-5,17H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of N-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide?
N-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide is sourced from PubChem (CID 47076551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).