2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide

C15H24N2O2 — CID 55001222

IUPAC2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
SMILESCCC(C)N(CCOC)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H24N2O2/c1-4-12(2)17(9-10-19-3)15(18)11-13-5-7-14(16)8-6-13/h5-8,12H,4,9-11,16H2,1-3H3
InChIKeyWEXSZSQFBQRNND-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.08
Rot. Bonds7

About 2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide

2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide (PubChem CID 55001222) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
PubChem CID55001222
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
SMILESCCC(C)N(CCOC)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H24N2O2/c1-4-12(2)17(9-10-19-3)15(18)11-13-5-7-14(16)8-6-13/h5-8,12H,4,9-11,16H2,1-3H3
InChIKeyWEXSZSQFBQRNND-UHFFFAOYSA-N
XLogP2.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 54906294
N-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide
CID 86982114
2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82947951
3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 55001467
4-[3-[butan-2-yl(2-methoxyethyl)amino]propyl]aniline
CID 115341943
2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76911958
N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
CID 55091685
2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide
CID 119786192
2-[4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenyl]acetic acid
CID 105345880
2-(4-aminopyrazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
CID 55001514
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82949298
3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea
CID 55000887

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide (CID 55001222) is 2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide is CCC(C)N(CCOC)C(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide?
The InChIKey is WEXSZSQFBQRNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-12(2)17(9-10-19-3)15(18)11-13-5-7-14(16)8-6-13/h5-8,12H,4,9-11,16H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide?
2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide has a molecular weight of 264.37 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 55001222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).