N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide

C15H21NO2 — CID 115175799

IUPACN-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
SMILESCC(=O)C(=O)N(C)Cc1cc(C(C)C)ccc1C
InChIInChI=1S/C15H21NO2/c1-10(2)13-7-6-11(3)14(8-13)9-16(5)15(18)12(4)17/h6-8,10H,9H2,1-5H3
InChIKeyHJCSXABBKVJQPS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.67
Rot. Bonds4

About N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide

N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide (PubChem CID 115175799) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
PubChem CID115175799
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
SMILESCC(=O)C(=O)N(C)Cc1cc(C(C)C)ccc1C
InChIInChI=1S/C15H21NO2/c1-10(2)13-7-6-11(3)14(8-13)9-16(5)15(18)12(4)17/h6-8,10H,9H2,1-5H3
InChIKeyHJCSXABBKVJQPS-UHFFFAOYSA-N
XLogP2.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.67
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

N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194809
2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115152451
3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115162579
3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115153748
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 117044047
methyl-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]carbamothioic S-acid
CID 115170441
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
CID 115175661
3-methyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butanoic acid
CID 116930702
3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol
CID 115137620
4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one
CID 170366215
(2-methyl-5-propan-2-ylphenyl)methanethiol
CID 21131530
2-(2-methyl-5-propan-2-ylphenyl)acetaldehyde
CID 87494149

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide?
The IUPAC name of N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide (CID 115175799) is N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide?
The canonical SMILES for N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide is CC(=O)C(=O)N(C)Cc1cc(C(C)C)ccc1C.
What is the InChIKey of N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide?
The InChIKey is HJCSXABBKVJQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)13-7-6-11(3)14(8-13)9-16(5)15(18)12(4)17/h6-8,10H,9H2,1-5H3.
What are the key properties of N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide?
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide has a molecular weight of 247.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide is sourced from PubChem (CID 115175799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).