N-[(E)-furan-2-ylmethylideneamino]-2-[[2-(tritylamino)acetyl]amino]acetamide

C28H26N4O3 — CID 56691183

IUPACN-[(E)-furan-2-ylmethylideneamino]-2-[[2-(tritylamino)acetyl]amino]acetamide
SMILESO=C(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC(=O)N/N=C/c1ccco1
InChIInChI=1S/C28H26N4O3/c33-26(29-20-27(34)32-31-19-25-17-10-18-35-25)21-30-28(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-19,30H,20-21H2,(H,29,33)(H,32,34)/b31-19+
InChIKeyYSALBAZVYWCAAV-ZCTHSVRISA-N
MW466.54 g/mol
LogP3.43
Rot. Bonds10

About N-[(E)-furan-2-ylmethylideneamino]-2-[[2-(tritylamino)acetyl]amino]acetamide

N-[(E)-furan-2-ylmethylideneamino]-2-[[2-(tritylamino)acetyl]amino]acetamide (PubChem CID 56691183) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-2-[[2-(tritylamino)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-2-[[2-(tritylamino)acetyl]amino]acetamide
PubChem CID56691183
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2-[[2-(tritylamino)acetyl]amino]acetamide
SMILESO=C(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC(=O)N/N=C/c1ccco1
InChIInChI=1S/C28H26N4O3/c33-26(29-20-27(34)32-31-19-25-17-10-18-35-25)21-30-28(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-19,30H,20-21H2,(H,29,33)(H,32,34)/b31-19+
InChIKeyYSALBAZVYWCAAV-ZCTHSVRISA-N
XLogP3.43
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-(furan-2-ylmethylideneamino)acetamide
CID 3757182
N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]dodecanamide
CID 5101537
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404211
2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404241
3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 5333730
N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 4258491
N-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 2246608
2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5426354
2-(4-ethylphenyl)-N-(furan-2-ylmethylideneamino)acetamide
CID 165354335

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-[[2-(tritylamino)acetyl]amino]acetamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-[[2-(tritylamino)acetyl]amino]acetamide (CID 56691183) is N-[(E)-furan-2-ylmethylideneamino]-2-[[2-(tritylamino)acetyl]amino]acetamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-2-[[2-(tritylamino)acetyl]amino]acetamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-2-[[2-(tritylamino)acetyl]amino]acetamide is O=C(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC(=O)N/N=C/c1ccco1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-2-[[2-(tritylamino)acetyl]amino]acetamide?
The InChIKey is YSALBAZVYWCAAV-ZCTHSVRISA-N. The full InChI is InChI=1S/C28H26N4O3/c33-26(29-20-27(34)32-31-19-25-17-10-18-35-25)21-30-28(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-19,30H,20-21H2,(H,29,33)(H,32,34)/b31-19+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-2-[[2-(tritylamino)acetyl]amino]acetamide?
N-[(E)-furan-2-ylmethylideneamino]-2-[[2-(tritylamino)acetyl]amino]acetamide has a molecular weight of 466.54 g/mol, XLogP of 3.43, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-2-[[2-(tritylamino)acetyl]amino]acetamide is sourced from PubChem (CID 56691183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).