2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide

C22H30N2O4 — CID 54820258

IUPAC2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
SMILESCCCCOc1ccc(NCC(=O)Nc2ccc(OCCOCC)cc2)cc1
InChIInChI=1S/C22H30N2O4/c1-3-5-14-27-20-10-6-18(7-11-20)23-17-22(25)24-19-8-12-21(13-9-19)28-16-15-26-4-2/h6-13,23H,3-5,14-17H2,1-2H3,(H,24,25)
InChIKeyMEIDNPNURYWWKP-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.33
Rot. Bonds13

About 2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide

2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide (PubChem CID 54820258) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
PubChem CID54820258
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
SMILESCCCCOc1ccc(NCC(=O)Nc2ccc(OCCOCC)cc2)cc1
InChIInChI=1S/C22H30N2O4/c1-3-5-14-27-20-10-6-18(7-11-20)23-17-22(25)24-19-8-12-21(13-9-19)28-16-15-26-4-2/h6-13,23H,3-5,14-17H2,1-2H3,(H,24,25)
InChIKeyMEIDNPNURYWWKP-UHFFFAOYSA-N
XLogP4.33
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.33
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

N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54837207
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827505
N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825460
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846095
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide
CID 54841252
2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide
CID 54825377
N-(3,5-dichlorophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825678
2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide
CID 54825412

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide (CID 54820258) is 2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide is CCCCOc1ccc(NCC(=O)Nc2ccc(OCCOCC)cc2)cc1.
What is the InChIKey of 2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide?
The InChIKey is MEIDNPNURYWWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-3-5-14-27-20-10-6-18(7-11-20)23-17-22(25)24-19-8-12-21(13-9-19)28-16-15-26-4-2/h6-13,23H,3-5,14-17H2,1-2H3,(H,24,25).
What are the key properties of 2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide?
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide has a molecular weight of 386.49 g/mol, XLogP of 4.33, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54820258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).