N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide

C26H36N2O4 — CID 54821326

IUPACN-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESCCCCCCCOc1ccc(NC(=O)CNc2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C26H36N2O4/c1-2-3-4-5-6-17-30-23-15-11-22(12-16-23)28-26(29)19-27-21-9-13-24(14-10-21)32-20-25-8-7-18-31-25/h9-16,25,27H,2-8,17-20H2,1H3,(H,28,29)
InChIKeyGPLNWLPSEMSSOU-UHFFFAOYSA-N
MW440.58 g/mol
LogP5.64
Rot. Bonds14

About N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide

N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide (PubChem CID 54821326) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
PubChem CID54821326
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC NameN-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESCCCCCCCOc1ccc(NC(=O)CNc2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C26H36N2O4/c1-2-3-4-5-6-17-30-23-15-11-22(12-16-23)28-26(29)19-27-21-9-13-24(14-10-21)32-20-25-8-7-18-31-25/h9-16,25,27H,2-8,17-20H2,1H3,(H,28,29)
InChIKeyGPLNWLPSEMSSOU-UHFFFAOYSA-N
XLogP5.64
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 55.64
H-Bond Donors ≤ 52
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-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828366
propyl 4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzoate
CID 54821487
methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate
CID 54816958
4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836443
4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54821594
N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54821366
2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54820456
2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813717
N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822674
N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821618
3-methyl-N-[4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54821431
N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820151

Frequently Asked Questions

What is the IUPAC name of N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide?
The IUPAC name of N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide (CID 54821326) is N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide.
What is the SMILES notation for N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide?
The canonical SMILES for N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide is CCCCCCCOc1ccc(NC(=O)CNc2ccc(OCC3CCCO3)cc2)cc1.
What is the InChIKey of N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide?
The InChIKey is GPLNWLPSEMSSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-2-3-4-5-6-17-30-23-15-11-22(12-16-23)28-26(29)19-27-21-9-13-24(14-10-21)32-20-25-8-7-18-31-25/h9-16,25,27H,2-8,17-20H2,1H3,(H,28,29).
What are the key properties of N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide?
N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide has a molecular weight of 440.58 g/mol, XLogP of 5.64, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide is sourced from PubChem (CID 54821326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).