2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide

C21H28N2O3 — CID 54817368

IUPAC2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
SMILESCCOc1ccccc1NCC(=O)Nc1ccc(OCCC(C)C)cc1
InChIInChI=1S/C21H28N2O3/c1-4-25-20-8-6-5-7-19(20)22-15-21(24)23-17-9-11-18(12-10-17)26-14-13-16(2)3/h5-12,16,22H,4,13-15H2,1-3H3,(H,23,24)
InChIKeyNXSKSGDUZOOCGI-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.56
Rot. Bonds10

About 2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide

2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide (PubChem CID 54817368) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
PubChem CID54817368
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
SMILESCCOc1ccccc1NCC(=O)Nc1ccc(OCCC(C)C)cc1
InChIInChI=1S/C21H28N2O3/c1-4-25-20-8-6-5-7-19(20)22-15-21(24)23-17-9-11-18(12-10-17)26-14-13-16(2)3/h5-12,16,22H,4,13-15H2,1-3H3,(H,23,24)
InChIKeyNXSKSGDUZOOCGI-UHFFFAOYSA-N
XLogP4.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54827745
N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826935
2-(2-ethoxyanilino)-N-(4-methoxyphenyl)acetamide
CID 26438880
N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827183
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54822042
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 9080558
N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
2-(2-ethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54817171
N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827505
2-[2-(2-ethoxyethoxy)anilino]-N-(4-propoxyphenyl)acetamide
CID 54827535

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The IUPAC name of 2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide (CID 54817368) is 2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide is CCOc1ccccc1NCC(=O)Nc1ccc(OCCC(C)C)cc1.
What is the InChIKey of 2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The InChIKey is NXSKSGDUZOOCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-25-20-8-6-5-7-19(20)22-15-21(24)23-17-9-11-18(12-10-17)26-14-13-16(2)3/h5-12,16,22H,4,13-15H2,1-3H3,(H,23,24).
What are the key properties of 2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 4.56, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide is sourced from PubChem (CID 54817368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).