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

C24H27N3O4 — CID 54820132

IUPAC4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C24H27N3O4/c1-2-3-14-30-21-12-10-19(11-13-21)25-17-23(28)27-20-8-6-18(7-9-20)24(29)26-16-22-5-4-15-31-22/h4-13,15,25H,2-3,14,16-17H2,1H3,(H,26,29)(H,27,28)
InChIKeyWXAOOPVBXNCITJ-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.44
Rot. Bonds11

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

4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 54820132) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID54820132
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C24H27N3O4/c1-2-3-14-30-21-12-10-19(11-13-21)25-17-23(28)27-20-8-6-18(7-9-20)24(29)26-16-22-5-4-15-31-22/h4-13,15,25H,2-3,14,16-17H2,1H3,(H,26,29)(H,27,28)
InChIKeyWXAOOPVBXNCITJ-UHFFFAOYSA-N
XLogP4.44
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822273
N-(furan-2-ylmethyl)-4-[[2-(3-hexoxyanilino)acetyl]amino]benzamide
CID 54823454
N-(furan-2-ylmethyl)-4-[[2-(3-hexoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843109
N-(furan-2-ylmethyl)-3-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820959
N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54835380
N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide
CID 54821868
N-(furan-2-ylmethyl)-4-heptoxybenzamide
CID 3131904
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 54832198
N-(furan-2-ylmethyl)-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834514
2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide
CID 54818809
N-(furan-2-ylmethyl)-4-[(4-propoxybenzoyl)carbamothioylamino]benzamide
CID 28638586

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 54820132) is 4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is CCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)cc1.
What is the InChIKey of 4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is WXAOOPVBXNCITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-2-3-14-30-21-12-10-19(11-13-21)25-17-23(28)27-20-8-6-18(7-9-20)24(29)26-16-22-5-4-15-31-22/h4-13,15,25H,2-3,14,16-17H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 421.50 g/mol, XLogP of 4.44, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 54820132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).