N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide

C22H26N2O4 — CID 54824189

IUPACN-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C22H26N2O4/c1-2-13-27-20-11-5-3-9-18(20)23-15-22(25)24-19-10-4-6-12-21(19)28-16-17-8-7-14-26-17/h2-6,9-12,17,23H,1,7-8,13-16H2,(H,24,25)
InChIKeyXAASDHKHAGRAIL-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.86
Rot. Bonds10

About N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide

N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide (PubChem CID 54824189) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide.

Molecular Properties

Compound NameN-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
PubChem CID54824189
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C22H26N2O4/c1-2-13-27-20-11-5-3-9-18(20)23-15-22(25)24-19-10-4-6-12-21(19)28-16-17-8-7-14-26-17/h2-6,9-12,17,23H,1,7-8,13-16H2,(H,24,25)
InChIKeyXAASDHKHAGRAIL-UHFFFAOYSA-N
XLogP3.86
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
N-naphthalen-1-yl-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829466
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
2-(3-chloro-2-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54812939
2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54809220
N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829760
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide
CID 54837255
2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54840337
2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54824246
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54829835
N-benzyl-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829468

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide?
The IUPAC name of N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide (CID 54824189) is N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide.
What is the SMILES notation for N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide?
The canonical SMILES for N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide is C=CCOc1ccccc1NCC(=O)Nc1ccccc1OCC1CCCO1.
What is the InChIKey of N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide?
The InChIKey is XAASDHKHAGRAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-2-13-27-20-11-5-3-9-18(20)23-15-22(25)24-19-10-4-6-12-21(19)28-16-17-8-7-14-26-17/h2-6,9-12,17,23H,1,7-8,13-16H2,(H,24,25).
What are the key properties of N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide?
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide has a molecular weight of 382.46 g/mol, XLogP of 3.86, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide is sourced from PubChem (CID 54824189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).