N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide

C25H28N2O3 — CID 3596156

IUPACN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
SMILESCCCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O3/c1-3-15-26(25(29)22-13-11-20(2)12-14-22)19-24(28)27(18-23-10-7-16-30-23)17-21-8-5-4-6-9-21/h4-14,16H,3,15,17-19H2,1-2H3
InChIKeyBOQSVGAGMAKTFN-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.67
Rot. Bonds9

About N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide (PubChem CID 3596156) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
PubChem CID3596156
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
SMILESCCCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O3/c1-3-15-26(25(29)22-13-11-20(2)12-14-22)19-24(28)27(18-23-10-7-16-30-23)17-21-8-5-4-6-9-21/h4-14,16H,3,15,17-19H2,1-2H3
InChIKeyBOQSVGAGMAKTFN-UHFFFAOYSA-N
XLogP4.67
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 42773032
N-benzyl-2-[ethylcarbamoyl(propyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4606428
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 3911576
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42773009
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-phenylbenzamide
CID 5166760
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 5035260
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide
CID 4550872
N-benzyl-N-(furan-2-ylmethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
CID 42773035
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide
CID 3896391
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 4082889
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,4-dichloro-N-(2-methoxyethyl)benzamide
CID 5055169
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide?
The IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide (CID 3596156) is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide.
What is the SMILES notation for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide?
The canonical SMILES for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide is CCCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide?
The InChIKey is BOQSVGAGMAKTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-3-15-26(25(29)22-13-11-20(2)12-14-22)19-24(28)27(18-23-10-7-16-30-23)17-21-8-5-4-6-9-21/h4-14,16H,3,15,17-19H2,1-2H3.
What are the key properties of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide?
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide has a molecular weight of 404.51 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide is sourced from PubChem (CID 3596156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).