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

C14H19NO2 — CID 115175661

IUPACN-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NCc1cc(C(C)C)ccc1C
InChIInChI=1S/C14H19NO2/c1-9(2)12-6-5-10(3)13(7-12)8-15-14(17)11(4)16/h5-7,9H,8H2,1-4H3,(H,15,17)
InChIKeyMAYVJMBOZQREHW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.32
Rot. Bonds4

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

N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide (PubChem CID 115175661) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
PubChem CID115175661
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NCc1cc(C(C)C)ccc1C
InChIInChI=1S/C14H19NO2/c1-9(2)12-6-5-10(3)13(7-12)8-15-14(17)11(4)16/h5-7,9H,8H2,1-4H3,(H,15,17)
InChIKeyMAYVJMBOZQREHW-UHFFFAOYSA-N
XLogP2.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115154989
2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115186987
2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115188310
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
CID 115175799
2-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-1-amine
CID 143689157
3-[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163540
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206474
2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 110771074
2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide
CID 115180083
3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
CID 115122127
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 110780628
N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide
CID 110784198

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide?
The IUPAC name of N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide (CID 115175661) is N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide.
What is the SMILES notation for N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide?
The canonical SMILES for N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide is CC(=O)C(=O)NCc1cc(C(C)C)ccc1C.
What is the InChIKey of N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide?
The InChIKey is MAYVJMBOZQREHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)12-6-5-10(3)13(7-12)8-15-14(17)11(4)16/h5-7,9H,8H2,1-4H3,(H,15,17).
What are the key properties of N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide?
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide has a molecular weight of 233.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide is sourced from PubChem (CID 115175661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).