3-(4-aminophenyl)-N-(2,2-diethoxyethyl)propanamide

C15H24N2O3 — CID 115341571

IUPAC3-(4-aminophenyl)-N-(2,2-diethoxyethyl)propanamide
SMILESCCOC(CNC(=O)CCc1ccc(N)cc1)OCC
InChIInChI=1S/C15H24N2O3/c1-3-19-15(20-4-2)11-17-14(18)10-7-12-5-8-13(16)9-6-12/h5-6,8-9,15H,3-4,7,10-11,16H2,1-2H3,(H,17,18)
InChIKeySGKHJFYBPUKFEJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.72
Rot. Bonds9

About 3-(4-aminophenyl)-N-(2,2-diethoxyethyl)propanamide

3-(4-aminophenyl)-N-(2,2-diethoxyethyl)propanamide (PubChem CID 115341571) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(2,2-diethoxyethyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(2,2-diethoxyethyl)propanamide
PubChem CID115341571
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-(4-aminophenyl)-N-(2,2-diethoxyethyl)propanamide
SMILESCCOC(CNC(=O)CCc1ccc(N)cc1)OCC
InChIInChI=1S/C15H24N2O3/c1-3-19-15(20-4-2)11-17-14(18)10-7-12-5-8-13(16)9-6-12/h5-6,8-9,15H,3-4,7,10-11,16H2,1-2H3,(H,17,18)
InChIKeySGKHJFYBPUKFEJ-UHFFFAOYSA-N
XLogP1.72
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)-N-(2,2-diethoxyethyl)propanamide
CID 115341572
3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide
CID 102694281
3-[3-(4-aminophenyl)propanoylamino]-2-methoxypropanoic acid
CID 106108939
N-(2,2-diethoxyethyl)butanamide
CID 79548415
3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 61036910
N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide
CID 110833167
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
3-(4-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309033
methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate
CID 103879309
3-[3-(4-aminophenyl)propanoylamino]propanoic acid
CID 113290550
N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
CID 43553907
5-amino-N-(2,2-diethoxyethyl)pentanamide
CID 79547358

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(2,2-diethoxyethyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(2,2-diethoxyethyl)propanamide (CID 115341571) is 3-(4-aminophenyl)-N-(2,2-diethoxyethyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(2,2-diethoxyethyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(2,2-diethoxyethyl)propanamide is CCOC(CNC(=O)CCc1ccc(N)cc1)OCC.
What is the InChIKey of 3-(4-aminophenyl)-N-(2,2-diethoxyethyl)propanamide?
The InChIKey is SGKHJFYBPUKFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-19-15(20-4-2)11-17-14(18)10-7-12-5-8-13(16)9-6-12/h5-6,8-9,15H,3-4,7,10-11,16H2,1-2H3,(H,17,18).
What are the key properties of 3-(4-aminophenyl)-N-(2,2-diethoxyethyl)propanamide?
3-(4-aminophenyl)-N-(2,2-diethoxyethyl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(2,2-diethoxyethyl)propanamide is sourced from PubChem (CID 115341571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).