2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one

C15H23NO3 — CID 82100693

IUPAC2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one
SMILESCCC(CO)NC(C)C(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C15H23NO3/c1-5-13(9-17)16-11(3)15(18)12-6-7-14(19-4)10(2)8-12/h6-8,11,13,16-17H,5,9H2,1-4H3
InChIKeyLCSVPQONDAVYIF-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.94
Rot. Bonds7

About 2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one

2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one (PubChem CID 82100693) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one
PubChem CID82100693
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one
SMILESCCC(CO)NC(C)C(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C15H23NO3/c1-5-13(9-17)16-11(3)15(18)12-6-7-14(19-4)10(2)8-12/h6-8,11,13,16-17H,5,9H2,1-4H3
InChIKeyLCSVPQONDAVYIF-UHFFFAOYSA-N
XLogP1.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)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

2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one
CID 82100699
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 82100905
2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one
CID 82100066
2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methoxy-3-methylphenyl)propan-1-one
CID 82100685
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-hydroxybutan-2-ylamino)propan-1-one
CID 82100610
methyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate
CID 82348268
3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 43418103
2-bromo-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-one
CID 82254707
3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one
CID 103309388
2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol
CID 43207184
methyl 3-amino-4-(4-methoxy-3-methylphenyl)-4-oxobutanoate
CID 82348273

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one?
The IUPAC name of 2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one (CID 82100693) is 2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one?
The canonical SMILES for 2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one is CCC(CO)NC(C)C(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one?
The InChIKey is LCSVPQONDAVYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-13(9-17)16-11(3)15(18)12-6-7-14(19-4)10(2)8-12/h6-8,11,13,16-17H,5,9H2,1-4H3.
What are the key properties of 2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one?
2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one has a molecular weight of 265.35 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one is sourced from PubChem (CID 82100693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).