2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one

C17H25NO3 — CID 82101067

IUPAC2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
SMILESC=C(C)COc1ccc(C(=O)C(C)NCCCOC)cc1
InChIInChI=1S/C17H25NO3/c1-13(2)12-21-16-8-6-15(7-9-16)17(19)14(3)18-10-5-11-20-4/h6-9,14,18H,1,5,10-12H2,2-4H3
InChIKeySFTVRODDUCAALT-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.84
Rot. Bonds10

About 2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one

2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one (PubChem CID 82101067) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
PubChem CID82101067
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
SMILESC=C(C)COc1ccc(C(=O)C(C)NCCCOC)cc1
InChIInChI=1S/C17H25NO3/c1-13(2)12-21-16-8-6-15(7-9-16)17(19)14(3)18-10-5-11-20-4/h6-9,14,18H,1,5,10-12H2,2-4H3
InChIKeySFTVRODDUCAALT-UHFFFAOYSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]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

1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one
CID 82100724
2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 82100852
2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82341494
2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one
CID 82100764
1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one
CID 82100246
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100874
1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one
CID 82100519
4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17123815
4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097690
(3R)-5-methyl-3-[[4-(2-methylprop-2-enoxy)benzoyl]amino]hexanoic acid
CID 95046614
4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097607
4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide
CID 35513931

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one?
The IUPAC name of 2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one (CID 82101067) is 2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one.
What is the SMILES notation for 2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one?
The canonical SMILES for 2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one is C=C(C)COc1ccc(C(=O)C(C)NCCCOC)cc1.
What is the InChIKey of 2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one?
The InChIKey is SFTVRODDUCAALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(2)12-21-16-8-6-15(7-9-16)17(19)14(3)18-10-5-11-20-4/h6-9,14,18H,1,5,10-12H2,2-4H3.
What are the key properties of 2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one?
2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one has a molecular weight of 291.39 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one is sourced from PubChem (CID 82101067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).