N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide

C25H27N3O5 — CID 4064620

IUPACN-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(Cc2ccco2)C(=O)CCc2ccccc2)cc1
InChIInChI=1S/C25H27N3O5/c1-32-21-12-10-20(11-13-21)27-23(29)16-26-24(30)18-28(17-22-8-5-15-33-22)25(31)14-9-19-6-3-2-4-7-19/h2-8,10-13,15H,9,14,16-18H2,1H3,(H,26,30)(H,27,29)
InChIKeyJYXQOZFTCSFKBJ-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.00
Rot. Bonds11

About N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide

N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide (PubChem CID 4064620) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide
PubChem CID4064620
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC NameN-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(Cc2ccco2)C(=O)CCc2ccccc2)cc1
InChIInChI=1S/C25H27N3O5/c1-32-21-12-10-20(11-13-21)27-23(29)16-26-24(30)18-28(17-22-8-5-15-33-22)25(31)14-9-19-6-3-2-4-7-19/h2-8,10-13,15H,9,14,16-18H2,1H3,(H,26,30)(H,27,29)
InChIKeyJYXQOZFTCSFKBJ-UHFFFAOYSA-N
XLogP3.00
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CID 5067624
3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3663549
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide
CID 47012190
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 4139055
N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4071473
N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
CID 4071657
N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4624634
N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222820
N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
CID 4284142
4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9333882
2-[benzyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 55354188
N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 32992758

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide (CID 4064620) is N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide is COc1ccc(NC(=O)CNC(=O)CN(Cc2ccco2)C(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide?
The InChIKey is JYXQOZFTCSFKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-32-21-12-10-20(11-13-21)27-23(29)16-26-24(30)18-28(17-22-8-5-15-33-22)25(31)14-9-19-6-3-2-4-7-19/h2-8,10-13,15H,9,14,16-18H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide?
N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 449.51 g/mol, XLogP of 3.00, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide is sourced from PubChem (CID 4064620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).