2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one

C15H23NO — CID 43796822

IUPAC2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one
SMILESCCC(CC)N(C)C(C)C(=O)c1ccccc1
InChIInChI=1S/C15H23NO/c1-5-14(6-2)16(4)12(3)15(17)13-10-8-7-9-11-13/h7-12,14H,5-6H2,1-4H3
InChIKeyMNEOKMLRAZESNO-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.38
Rot. Bonds6

About 2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one

2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one (PubChem CID 43796822) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one
PubChem CID43796822
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one
SMILESCCC(CC)N(C)C(C)C(=O)c1ccccc1
InChIInChI=1S/C15H23NO/c1-5-14(6-2)16(4)12(3)15(17)13-10-8-7-9-11-13/h7-12,14H,5-6H2,1-4H3
InChIKeyMNEOKMLRAZESNO-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 43796890
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
CID 112662034
N-methyl-N-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 11119051
(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
CID 129384215
propyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 91747711
2-fluoro-3-methyl-1-phenylpentan-1-one
CID 10965397
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
2-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-one
CID 65487247
1-phenyl-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795382
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 104552670
N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
CID 58597535

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one?
The IUPAC name of 2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one (CID 43796822) is 2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one.
What is the SMILES notation for 2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one?
The canonical SMILES for 2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one is CCC(CC)N(C)C(C)C(=O)c1ccccc1.
What is the InChIKey of 2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one?
The InChIKey is MNEOKMLRAZESNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-14(6-2)16(4)12(3)15(17)13-10-8-7-9-11-13/h7-12,14H,5-6H2,1-4H3.
What are the key properties of 2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one?
2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one has a molecular weight of 233.36 g/mol, XLogP of 3.38, 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-phenylpropan-1-one is sourced from PubChem (CID 43796822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).