N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide

C20H26N2O4 — CID 54820051

IUPACN-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
SMILESCCCOc1ccc(NCC(=O)Nc2cccc(OCCOC)c2)cc1
InChIInChI=1S/C20H26N2O4/c1-3-11-25-18-9-7-16(8-10-18)21-15-20(23)22-17-5-4-6-19(14-17)26-13-12-24-2/h4-10,14,21H,3,11-13,15H2,1-2H3,(H,22,23)
InChIKeyFBQSTNFXUDGJPY-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.55
Rot. Bonds11

About N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide

N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide (PubChem CID 54820051) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
PubChem CID54820051
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
SMILESCCCOc1ccc(NCC(=O)Nc2cccc(OCCOC)c2)cc1
InChIInChI=1S/C20H26N2O4/c1-3-11-25-18-9-7-16(8-10-18)21-15-20(23)22-17-5-4-6-19(14-17)26-13-12-24-2/h4-10,14,21H,3,11-13,15H2,1-2H3,(H,22,23)
InChIKeyFBQSTNFXUDGJPY-UHFFFAOYSA-N
XLogP3.55
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54821314
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
CID 54836110
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N-(3-acetamidophenyl)-2-(4-propoxyanilino)acetamide
CID 54822822
2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54824311
N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830494
methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54817060
2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 54811569
2-(3-propan-2-yloxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54830279
N-(4-methylphenyl)-2-(3-propoxyanilino)acetamide
CID 36860720

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide?
The IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide (CID 54820051) is N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide is CCCOc1ccc(NCC(=O)Nc2cccc(OCCOC)c2)cc1.
What is the InChIKey of N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide?
The InChIKey is FBQSTNFXUDGJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-3-11-25-18-9-7-16(8-10-18)21-15-20(23)22-17-5-4-6-19(14-17)26-13-12-24-2/h4-10,14,21H,3,11-13,15H2,1-2H3,(H,22,23).
What are the key properties of N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide?
N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide has a molecular weight of 358.44 g/mol, XLogP of 3.55, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide is sourced from PubChem (CID 54820051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).