1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one

C15H24N2O2 — CID 82258520

IUPAC1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one
SMILESCCOc1ccc(C(=O)C(C)NC(C)(C)C)cc1N
InChIInChI=1S/C15H24N2O2/c1-6-19-13-8-7-11(9-12(13)16)14(18)10(2)17-15(3,4)5/h7-10,17H,6,16H2,1-5H3
InChIKeyZYWJZFGYHPBMPR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.63
Rot. Bonds5

About 1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one

1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one (PubChem CID 82258520) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one
PubChem CID82258520
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one
SMILESCCOc1ccc(C(=O)C(C)NC(C)(C)C)cc1N
InChIInChI=1S/C15H24N2O2/c1-6-19-13-8-7-11(9-12(13)16)14(18)10(2)17-15(3,4)5/h7-10,17H,6,16H2,1-5H3
InChIKeyZYWJZFGYHPBMPR-UHFFFAOYSA-N
XLogP2.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
CID 61498178
methyl 2-[(3-amino-4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 61095584
3-[[1-(3-amino-4-ethoxyphenyl)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 82256769
2-[[1-(3-amino-4-ethoxyphenyl)-1-oxopropan-2-yl]-methylamino]acetic acid
CID 82256759
3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide
CID 79477369
1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one
CID 82258535
3-amino-4-ethoxy-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64628978
2-methylpentyl 3-amino-4-ethoxybenzoate
CID 55055867
3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide
CID 61094806
1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone
CID 82258591
2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide
CID 82064320
3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65103916

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one?
The IUPAC name of 1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one (CID 82258520) is 1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one.
What is the SMILES notation for 1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one?
The canonical SMILES for 1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one is CCOc1ccc(C(=O)C(C)NC(C)(C)C)cc1N.
What is the InChIKey of 1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one?
The InChIKey is ZYWJZFGYHPBMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-6-19-13-8-7-11(9-12(13)16)14(18)10(2)17-15(3,4)5/h7-10,17H,6,16H2,1-5H3.
What are the key properties of 1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one?
1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one has a molecular weight of 264.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one is sourced from PubChem (CID 82258520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).