N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide

C22H30N2O4 — CID 54827505

IUPACN-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
SMILESCCCCOc1ccc(NC(=O)CNc2ccccc2OCCOCC)cc1
InChIInChI=1S/C22H30N2O4/c1-3-5-14-27-19-12-10-18(11-13-19)24-22(25)17-23-20-8-6-7-9-21(20)28-16-15-26-4-2/h6-13,23H,3-5,14-17H2,1-2H3,(H,24,25)
InChIKeyXHXGDQFUOMCTMQ-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.33
Rot. Bonds13

About N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide

N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide (PubChem CID 54827505) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
PubChem CID54827505
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC NameN-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
SMILESCCCCOc1ccc(NC(=O)CNc2ccccc2OCCOCC)cc1
InChIInChI=1S/C22H30N2O4/c1-3-5-14-27-19-12-10-18(11-13-19)24-22(25)17-23-20-8-6-7-9-21(20)28-16-15-26-4-2/h6-13,23H,3-5,14-17H2,1-2H3,(H,24,25)
InChIKeyXHXGDQFUOMCTMQ-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-ethoxyethoxy)anilino]-N-(4-propoxyphenyl)acetamide
CID 54827535
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54827411
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide
CID 54827601
2-(2-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54827745
N-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide
CID 54827316
2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54827744
2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide
CID 54827839
N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822084
4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54828140
N-(3,5-dichlorophenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827277

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide?
The IUPAC name of N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide (CID 54827505) is N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide?
The canonical SMILES for N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide is CCCCOc1ccc(NC(=O)CNc2ccccc2OCCOCC)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide?
The InChIKey is XHXGDQFUOMCTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-3-5-14-27-19-12-10-18(11-13-19)24-22(25)17-23-20-8-6-7-9-21(20)28-16-15-26-4-2/h6-13,23H,3-5,14-17H2,1-2H3,(H,24,25).
What are the key properties of N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide?
N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]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 N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54827505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).