N-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]-2-oxopropanamide

C15H21NO2 — CID 115175745

IUPACN-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]-2-oxopropanamide
SMILESCC(=O)C(=O)N(C)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C15H21NO2/c1-11(2)9-13-5-7-14(8-6-13)10-16(4)15(18)12(3)17/h5-8,11H,9-10H2,1-4H3
InChIKeyWIKFAFAJDISBKY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.43
Rot. Bonds5

About N-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]-2-oxopropanamide

N-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]-2-oxopropanamide (PubChem CID 115175745) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]-2-oxopropanamide
PubChem CID115175745
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]-2-oxopropanamide
SMILESCC(=O)C(=O)N(C)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C15H21NO2/c1-11(2)9-13-5-7-14(8-6-13)10-16(4)15(18)12(3)17/h5-8,11H,9-10H2,1-4H3
InChIKeyWIKFAFAJDISBKY-UHFFFAOYSA-N
XLogP2.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid
CID 115141371
2-hydroxy-N,2-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide
CID 115178830
[4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone
CID 58820967
N-methyl-N-[2-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 115191266
2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]ethanol
CID 110921350
N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide
CID 20593123
[4-(2-methylpropyl)phenyl] 2-oxopropanoate
CID 67882430
N-methyl-N-(2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78853378
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
1-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-4-ylmethyl)urea
CID 86999519
N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 115262015
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]-2-oxopropanamide?
The IUPAC name of N-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]-2-oxopropanamide (CID 115175745) is N-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]-2-oxopropanamide.
What is the SMILES notation for N-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]-2-oxopropanamide?
The canonical SMILES for N-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]-2-oxopropanamide is CC(=O)C(=O)N(C)Cc1ccc(CC(C)C)cc1.
What is the InChIKey of N-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]-2-oxopropanamide?
The InChIKey is WIKFAFAJDISBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)9-13-5-7-14(8-6-13)10-16(4)15(18)12(3)17/h5-8,11H,9-10H2,1-4H3.
What are the key properties of N-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]-2-oxopropanamide?
N-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]-2-oxopropanamide has a molecular weight of 247.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]-2-oxopropanamide is sourced from PubChem (CID 115175745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).