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

C19H21IN2O3 — CID 54829760

IUPACN-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESO=C(CNc1ccccc1OCC1CCCO1)Nc1ccc(I)cc1
InChIInChI=1S/C19H21IN2O3/c20-14-7-9-15(10-8-14)22-19(23)12-21-17-5-1-2-6-18(17)25-13-16-4-3-11-24-16/h1-2,5-10,16,21H,3-4,11-13H2,(H,22,23)
InChIKeyVAIYMRMZKDRZTH-UHFFFAOYSA-N
MW452.29 g/mol
LogP3.90
Rot. Bonds7

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

N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide (PubChem CID 54829760) has the molecular formula C19H21IN2O3 and a molecular weight of 452.29 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
PubChem CID54829760
Molecular FormulaC19H21IN2O3
Molecular Weight452.29 g/mol
Exact Mass452.06
IUPAC NameN-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESO=C(CNc1ccccc1OCC1CCCO1)Nc1ccc(I)cc1
InChIInChI=1S/C19H21IN2O3/c20-14-7-9-15(10-8-14)22-19(23)12-21-17-5-1-2-6-18(17)25-13-16-4-3-11-24-16/h1-2,5-10,16,21H,3-4,11-13H2,(H,22,23)
InChIKeyVAIYMRMZKDRZTH-UHFFFAOYSA-N
XLogP3.90
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.29
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54829444
N-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54829639
2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54809220
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54829835
N-naphthalen-1-yl-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829466
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824189
2-[2-(oxolan-2-ylmethoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54829439
N-[3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829542
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54829734
N-[4-chloro-3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54829442

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide?
The IUPAC name of N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide (CID 54829760) is N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide.
What is the SMILES notation for N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide?
The canonical SMILES for N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide is O=C(CNc1ccccc1OCC1CCCO1)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide?
The InChIKey is VAIYMRMZKDRZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN2O3/c20-14-7-9-15(10-8-14)22-19(23)12-21-17-5-1-2-6-18(17)25-13-16-4-3-11-24-16/h1-2,5-10,16,21H,3-4,11-13H2,(H,22,23).
What are the key properties of N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide?
N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide has a molecular weight of 452.29 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide is sourced from PubChem (CID 54829760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).