N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide

C23H25N3O5 — CID 54822273

IUPACN-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide
SMILESCOCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C23H25N3O5/c1-29-13-14-31-20-10-8-18(9-11-20)24-16-22(27)26-19-6-4-17(5-7-19)23(28)25-15-21-3-2-12-30-21/h2-12,24H,13-16H2,1H3,(H,25,28)(H,26,27)
InChIKeyULBFCCMAFISCNY-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.29
Rot. Bonds11

About N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide

N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide (PubChem CID 54822273) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide
PubChem CID54822273
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC NameN-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide
SMILESCOCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C23H25N3O5/c1-29-13-14-31-20-10-8-18(9-11-20)24-16-22(27)26-19-6-4-17(5-7-19)23(28)25-15-21-3-2-12-30-21/h2-12,24H,13-16H2,1H3,(H,25,28)(H,26,27)
InChIKeyULBFCCMAFISCNY-UHFFFAOYSA-N
XLogP3.29
TPSA101.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54820132
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207
N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54835380
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
N-(furan-2-ylmethyl)-4-[[2-(3-hexoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843109
N-(furan-2-ylmethyl)-4-[[2-(3-hexoxyanilino)acetyl]amino]benzamide
CID 54823454
N-(furan-2-ylmethyl)-3-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820959
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54831561
N-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843077
N-(furan-2-ylmethyl)-4-[(4-propoxybenzoyl)carbamothioylamino]benzamide
CID 28638586
N-(furan-2-ylmethyl)-3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825672
N-(furan-2-ylmethyl)-3-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]benzamide
CID 54834812

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide (CID 54822273) is N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide is COCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide?
The InChIKey is ULBFCCMAFISCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-29-13-14-31-20-10-8-18(9-11-20)24-16-22(27)26-19-6-4-17(5-7-19)23(28)25-15-21-3-2-12-30-21/h2-12,24H,13-16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide?
N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide has a molecular weight of 423.47 g/mol, XLogP of 3.29, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54822273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).