N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide

C21H26N2O4 — CID 26905201

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CCCOc1ccc(OC)cc1
InChIInChI=1S/C21H26N2O4/c1-3-16-7-4-5-8-19(16)23-21(25)15-22-20(24)9-6-14-27-18-12-10-17(26-2)11-13-18/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyFUTFUAZFWAJJNN-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.17
Rot. Bonds10

About N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide

N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide (PubChem CID 26905201) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide
PubChem CID26905201
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CCCOc1ccc(OC)cc1
InChIInChI=1S/C21H26N2O4/c1-3-16-7-4-5-8-19(16)23-21(25)15-22-20(24)9-6-14-27-18-12-10-17(26-2)11-13-18/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyFUTFUAZFWAJJNN-UHFFFAOYSA-N
XLogP3.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide
CID 24616235
4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide
CID 19173562
N-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide
CID 11111535
N'-(2-ethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108530359
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
CID 7783546
4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
CID 4797069
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2-ethylphenyl)acetamide
CID 113166008
2-[[2-(4-benzoylphenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 9202240
N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide
CID 60595680
cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium
CID 8770863
N-(2-ethylphenyl)-2-[[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]amino]acetamide
CID 24543900

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide (CID 26905201) is N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide is CCc1ccccc1NC(=O)CNC(=O)CCCOc1ccc(OC)cc1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide?
The InChIKey is FUTFUAZFWAJJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-16-7-4-5-8-19(16)23-21(25)15-22-20(24)9-6-14-27-18-12-10-17(26-2)11-13-18/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide has a molecular weight of 370.45 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 26905201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).