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

C17H27NO — CID 62613655

IUPAC1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one
SMILESCc1ccc(C(=O)CCN(CC(C)C)C(C)C)cc1
InChIInChI=1S/C17H27NO/c1-13(2)12-18(14(3)4)11-10-17(19)16-8-6-15(5)7-9-16/h6-9,13-14H,10-12H2,1-5H3
InChIKeyHNLWAGDRONWJQL-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.93
Rot. Bonds7

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

1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one (PubChem CID 62613655) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one
PubChem CID62613655
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one
SMILESCc1ccc(C(=O)CCN(CC(C)C)C(C)C)cc1
InChIInChI=1S/C17H27NO/c1-13(2)12-18(14(3)4)11-10-17(19)16-8-6-15(5)7-9-16/h6-9,13-14H,10-12H2,1-5H3
InChIKeyHNLWAGDRONWJQL-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 174749229
3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62611644
1-(4-bromophenyl)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-one
CID 63565755
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613959
2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone
CID 55001981
[3-(4-methylphenyl)-3-oxopropyl]-propan-2-ylazanium chloride
CID 139084674
1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
CID 82952009
1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62031112
1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one
CID 63484274
N-(3-methylbutyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110295011
4-methyl-N-(2-methylpropyl)benzohydrazide
CID 71176452
3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 112664511

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one (CID 62613655) is 1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one is Cc1ccc(C(=O)CCN(CC(C)C)C(C)C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one?
The InChIKey is HNLWAGDRONWJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)12-18(14(3)4)11-10-17(19)16-8-6-15(5)7-9-16/h6-9,13-14H,10-12H2,1-5H3.
What are the key properties of 1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one?
1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one has a molecular weight of 261.41 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one is sourced from PubChem (CID 62613655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).