N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide

C26H36N2O4 — CID 54828366

IUPACN-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESCCCCCCCOc1cccc(NC(=O)CNc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C26H36N2O4/c1-2-3-4-5-6-15-30-23-12-8-11-22(18-23)28-26(29)19-27-21-10-7-13-24(17-21)32-20-25-14-9-16-31-25/h7-8,10-13,17-18,25,27H,2-6,9,14-16,19-20H2,1H3,(H,28,29)
InChIKeySPLIRDCUMCCZBZ-UHFFFAOYSA-N
MW440.58 g/mol
LogP5.64
Rot. Bonds14

About N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide

N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide (PubChem CID 54828366) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
PubChem CID54828366
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC NameN-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESCCCCCCCOc1cccc(NC(=O)CNc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C26H36N2O4/c1-2-3-4-5-6-15-30-23-12-8-11-22(18-23)28-26(29)19-27-21-10-7-13-24(17-21)32-20-25-14-9-16-31-25/h7-8,10-13,17-18,25,27H,2-6,9,14-16,19-20H2,1H3,(H,28,29)
InChIKeySPLIRDCUMCCZBZ-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828556
N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821326
N-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54828719
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
2-[2-(oxolan-2-ylmethoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54829439
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54828749
2-[3-(oxolan-2-ylmethoxy)anilino]-N-propylacetamide
CID 54828521
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54842734
2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381

Frequently Asked Questions

What is the IUPAC name of N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The IUPAC name of N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide (CID 54828366) is N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide.
What is the SMILES notation for N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The canonical SMILES for N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide is CCCCCCCOc1cccc(NC(=O)CNc2cccc(OCC3CCCO3)c2)c1.
What is the InChIKey of N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The InChIKey is SPLIRDCUMCCZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-2-3-4-5-6-15-30-23-12-8-11-22(18-23)28-26(29)19-27-21-10-7-13-24(17-21)32-20-25-14-9-16-31-25/h7-8,10-13,17-18,25,27H,2-6,9,14-16,19-20H2,1H3,(H,28,29).
What are the key properties of N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
N-(3-heptoxyphenyl)-2-[3-(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-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide is sourced from PubChem (CID 54828366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).