2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide

C15H21NO2 — CID 64991894

IUPAC2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide
SMILESCCC(=O)C(C)NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-5-13(17)11(2)16-14(18)15(3,4)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,16,18)
InChIKeyOVLBCVHHHGXZMI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.45
Rot. Bonds5

About 2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide

2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide (PubChem CID 64991894) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide
PubChem CID64991894
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide
SMILESCCC(=O)C(C)NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-5-13(17)11(2)16-14(18)15(3,4)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,16,18)
InChIKeyOVLBCVHHHGXZMI-UHFFFAOYSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]-2-phenylpropanamide
CID 46420935
N-(1-aminopropan-2-yl)-2-methyl-2-phenylpropanamide
CID 63731541
N-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide
CID 107859920
N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide
CID 113485062
N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
CID 106355073
N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
CID 106356684
(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
CID 13299690
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 110466165
2-amino-N-(1-amino-1-oxopropan-2-yl)-2-phenylpropanamide
CID 62488756
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
CID 120587567
3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid
CID 81076781

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide?
The IUPAC name of 2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide (CID 64991894) is 2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide.
What is the SMILES notation for 2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide?
The canonical SMILES for 2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide is CCC(=O)C(C)NC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide?
The InChIKey is OVLBCVHHHGXZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-13(17)11(2)16-14(18)15(3,4)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,16,18).
What are the key properties of 2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide?
2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide has a molecular weight of 247.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide is sourced from PubChem (CID 64991894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).