2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one

C16H25NO — CID 43796890

IUPAC2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCCC(CC)N(C)C(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO/c1-6-15(7-2)17(5)13(4)16(18)14-10-8-12(3)9-11-14/h8-11,13,15H,6-7H2,1-5H3
InChIKeyLLQYOQRTACDEBW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.69
Rot. Bonds6

About 2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one

2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one (PubChem CID 43796890) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one
PubChem CID43796890
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCCC(CC)N(C)C(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO/c1-6-15(7-2)17(5)13(4)16(18)14-10-8-12(3)9-11-14/h8-11,13,15H,6-7H2,1-5H3
InChIKeyLLQYOQRTACDEBW-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[methyl(pentan-3-yl)amino]-1-(4-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-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 104552670
2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one
CID 43796822
(2S)-2-(dimethylamino)-1-(4-methylphenyl)butan-1-one
CID 124518637
2-[methyl-[1-(4-methylphenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82476146
2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 61427109
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 55010842
1-(4-methylphenyl)-2-[pentyl(propan-2-yl)amino]propan-1-one
CID 63567711
N-[(2R,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide
CID 11053976
N-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide
CID 100938187
3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one
CID 103458462
2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 43796353
2-butan-2-ylsulfinyl-1-(4-methylphenyl)propan-1-one
CID 64641066

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one (CID 43796890) is 2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one is CCC(CC)N(C)C(C)C(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is LLQYOQRTACDEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-15(7-2)17(5)13(4)16(18)14-10-8-12(3)9-11-14/h8-11,13,15H,6-7H2,1-5H3.
What are the key properties of 2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one?
2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 247.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 43796890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).