2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide

C22H28N2O4 — CID 113169641

IUPAC2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)CN(C(C)=O)c2ccccc2C(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-16(2)20-7-5-6-8-21(20)24(17(3)25)15-22(26)23-13-14-28-19-11-9-18(27-4)10-12-19/h5-12,16H,13-15H2,1-4H3,(H,23,26)
InChIKeyFILDCRYKODEQEU-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.37
Rot. Bonds9

About 2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide

2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide (PubChem CID 113169641) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
PubChem CID113169641
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)CN(C(C)=O)c2ccccc2C(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-16(2)20-7-5-6-8-21(20)24(17(3)25)15-22(26)23-13-14-28-19-11-9-18(27-4)10-12-19/h5-12,16H,13-15H2,1-4H3,(H,23,26)
InChIKeyFILDCRYKODEQEU-UHFFFAOYSA-N
XLogP3.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide
CID 113169585
N-[2-(N-acetyl-2-propan-2-ylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113058617
2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113178693
2-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113167920
N-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
CID 108951318
2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide
CID 113169640
3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123406
2-(N-acetyl-2-ethylanilino)-N-(2-methoxyethyl)acetamide
CID 113169024
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113173139
3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide
CID 113125720

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide (CID 113169641) is 2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide is COc1ccc(OCCNC(=O)CN(C(C)=O)c2ccccc2C(C)C)cc1.
What is the InChIKey of 2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The InChIKey is FILDCRYKODEQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16(2)20-7-5-6-8-21(20)24(17(3)25)15-22(26)23-13-14-28-19-11-9-18(27-4)10-12-19/h5-12,16H,13-15H2,1-4H3,(H,23,26).
What are the key properties of 2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 113169641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).