6-[[2-(furan-3-ylmethoxy)acetyl]amino]-N-(3-phenylphenyl)hexanamide

C25H28N2O4 — CID 11953017

IUPAC6-[[2-(furan-3-ylmethoxy)acetyl]amino]-N-(3-phenylphenyl)hexanamide
SMILESO=C(COCc1ccoc1)NCCCCCC(=O)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C25H28N2O4/c28-24(27-23-11-7-10-22(16-23)21-8-3-1-4-9-21)12-5-2-6-14-26-25(29)19-31-18-20-13-15-30-17-20/h1,3-4,7-11,13,15-17H,2,5-6,12,14,18-19H2,(H,26,29)(H,27,28)
InChIKeyYXLORVSAISHPGZ-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.78
Rot. Bonds12

About 6-[[2-(furan-3-ylmethoxy)acetyl]amino]-N-(3-phenylphenyl)hexanamide

6-[[2-(furan-3-ylmethoxy)acetyl]amino]-N-(3-phenylphenyl)hexanamide (PubChem CID 11953017) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 6-[[2-(furan-3-ylmethoxy)acetyl]amino]-N-(3-phenylphenyl)hexanamide.

Molecular Properties

Compound Name6-[[2-(furan-3-ylmethoxy)acetyl]amino]-N-(3-phenylphenyl)hexanamide
PubChem CID11953017
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name6-[[2-(furan-3-ylmethoxy)acetyl]amino]-N-(3-phenylphenyl)hexanamide
SMILESO=C(COCc1ccoc1)NCCCCCC(=O)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C25H28N2O4/c28-24(27-23-11-7-10-22(16-23)21-8-3-1-4-9-21)12-5-2-6-14-26-25(29)19-31-18-20-13-15-30-17-20/h1,3-4,7-11,13,15-17H,2,5-6,12,14,18-19H2,(H,26,29)(H,27,28)
InChIKeyYXLORVSAISHPGZ-UHFFFAOYSA-N
XLogP4.78
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[2-[[4-(hydroxymethyl)phenyl]methoxy]acetyl]amino]-N-(3-phenylphenyl)hexanamide
CID 11952976
6-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-N-(3-phenylphenyl)hexanamide
CID 69386598
CID 58756744
CID 58756744
2-[2-oxo-2-[[6-oxo-6-(3-phenylanilino)hexyl]amino]ethyl]sulfinylacetic acid
CID 11952973
6-[[2-(4-aminophenyl)sulfanylacetyl]amino]-N-(3-phenylphenyl)hexanamide
CID 69384583
N-(3-phenylphenyl)-5-(sulfamoylamino)pentanamide
CID 44591286
methyl 2-hydroxy-3-[2-oxo-2-[[6-oxo-6-(3-phenylanilino)hexyl]amino]ethyl]sulfanylpropanoate;6-[[2-[(4-methylsulfanylphenyl)methylsulfanyl]acetyl]amino]-N-(3-phenylphenyl)hexanamide
CID 162187442
4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 43239307
N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
CID 17235933
N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide
CID 108747772
N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide
CID 11623126
S-[2-[(6-anilino-6-oxohexyl)amino]-2-oxoethyl] ethanethioate
CID 11370695

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(furan-3-ylmethoxy)acetyl]amino]-N-(3-phenylphenyl)hexanamide?
The IUPAC name of 6-[[2-(furan-3-ylmethoxy)acetyl]amino]-N-(3-phenylphenyl)hexanamide (CID 11953017) is 6-[[2-(furan-3-ylmethoxy)acetyl]amino]-N-(3-phenylphenyl)hexanamide.
What is the SMILES notation for 6-[[2-(furan-3-ylmethoxy)acetyl]amino]-N-(3-phenylphenyl)hexanamide?
The canonical SMILES for 6-[[2-(furan-3-ylmethoxy)acetyl]amino]-N-(3-phenylphenyl)hexanamide is O=C(COCc1ccoc1)NCCCCCC(=O)Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of 6-[[2-(furan-3-ylmethoxy)acetyl]amino]-N-(3-phenylphenyl)hexanamide?
The InChIKey is YXLORVSAISHPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c28-24(27-23-11-7-10-22(16-23)21-8-3-1-4-9-21)12-5-2-6-14-26-25(29)19-31-18-20-13-15-30-17-20/h1,3-4,7-11,13,15-17H,2,5-6,12,14,18-19H2,(H,26,29)(H,27,28).
What are the key properties of 6-[[2-(furan-3-ylmethoxy)acetyl]amino]-N-(3-phenylphenyl)hexanamide?
6-[[2-(furan-3-ylmethoxy)acetyl]amino]-N-(3-phenylphenyl)hexanamide has a molecular weight of 420.51 g/mol, XLogP of 4.78, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(furan-3-ylmethoxy)acetyl]amino]-N-(3-phenylphenyl)hexanamide is sourced from PubChem (CID 11953017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).