2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide

C25H27N3O6 — CID 5067624

IUPAC2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(Cc2ccco2)C(=O)COCc2ccccc2)cc1
InChIInChI=1S/C25H27N3O6/c1-32-21-11-9-20(10-12-21)27-23(29)14-26-24(30)16-28(15-22-8-5-13-34-22)25(31)18-33-17-19-6-3-2-4-7-19/h2-13H,14-18H2,1H3,(H,26,30)(H,27,29)
InChIKeyXMNUQHXJDUDNKE-UHFFFAOYSA-N
MW465.51 g/mol
LogP2.59
Rot. Bonds12

About 2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide

2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide (PubChem CID 5067624) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is 2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
PubChem CID5067624
Molecular FormulaC25H27N3O6
Molecular Weight465.51 g/mol
Exact Mass465.19
IUPAC Name2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(Cc2ccco2)C(=O)COCc2ccccc2)cc1
InChIInChI=1S/C25H27N3O6/c1-32-21-11-9-20(10-12-21)27-23(29)14-26-24(30)16-28(15-22-8-5-13-34-22)25(31)18-33-17-19-6-3-2-4-7-19/h2-13H,14-18H2,1H3,(H,26,30)(H,27,29)
InChIKeyXMNUQHXJDUDNKE-UHFFFAOYSA-N
XLogP2.59
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 4064620
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
2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 26999891
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-N-(furan-2-ylmethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
CID 42773035
N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4624634
benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184
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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide (CID 5067624) is 2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CNC(=O)CN(Cc2ccco2)C(=O)COCc2ccccc2)cc1.
What is the InChIKey of 2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is XMNUQHXJDUDNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6/c1-32-21-11-9-20(10-12-21)27-23(29)14-26-24(30)16-28(15-22-8-5-13-34-22)25(31)18-33-17-19-6-3-2-4-7-19/h2-13H,14-18H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide?
2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 465.51 g/mol, XLogP of 2.59, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 5067624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).