N-[(2,4,5-trimethylphenyl)methyl]propanamide

C13H19NO — CID 110783031

IUPACN-[(2,4,5-trimethylphenyl)methyl]propanamide
SMILESCCC(=O)NCc1cc(C)c(C)cc1C
InChIInChI=1S/C13H19NO/c1-5-13(15)14-8-12-7-10(3)9(2)6-11(12)4/h6-7H,5,8H2,1-4H3,(H,14,15)
InChIKeyTZROEAWPASWRGC-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.64
Rot. Bonds3

About N-[(2,4,5-trimethylphenyl)methyl]propanamide

N-[(2,4,5-trimethylphenyl)methyl]propanamide (PubChem CID 110783031) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(2,4,5-trimethylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2,4,5-trimethylphenyl)methyl]propanamide
PubChem CID110783031
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(2,4,5-trimethylphenyl)methyl]propanamide
SMILESCCC(=O)NCc1cc(C)c(C)cc1C
InChIInChI=1S/C13H19NO/c1-5-13(15)14-8-12-7-10(3)9(2)6-11(12)4/h6-7H,5,8H2,1-4H3,(H,14,15)
InChIKeyTZROEAWPASWRGC-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-sulfanyl-N-[(2,4,5-trimethylphenyl)methyl]acetamide
CID 115167183
3-chloro-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115162512
N-[(2,4,5-trimethylphenyl)methyl]tetradecanamide
CID 4525427
ethyl 2-oxo-2-[(2,4,5-trimethylphenyl)methylamino]acetate
CID 115141983
2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide
CID 115190257
1-tert-butyl-3-[(2,4,5-trimethylphenyl)methyl]urea
CID 110775170
2-(2,4,5-trimethylphenyl)acetohydrazide
CID 100523227
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-oxobutanamide
CID 115176376
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide
CID 110782924
2-(methylamino)-3-oxo-3-[(2,4,5-trimethylphenyl)methylamino]propanoic acid
CID 115189433
N-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide
CID 96661088
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110325136

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,5-trimethylphenyl)methyl]propanamide?
The IUPAC name of N-[(2,4,5-trimethylphenyl)methyl]propanamide (CID 110783031) is N-[(2,4,5-trimethylphenyl)methyl]propanamide.
What is the SMILES notation for N-[(2,4,5-trimethylphenyl)methyl]propanamide?
The canonical SMILES for N-[(2,4,5-trimethylphenyl)methyl]propanamide is CCC(=O)NCc1cc(C)c(C)cc1C.
What is the InChIKey of N-[(2,4,5-trimethylphenyl)methyl]propanamide?
The InChIKey is TZROEAWPASWRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-13(15)14-8-12-7-10(3)9(2)6-11(12)4/h6-7H,5,8H2,1-4H3,(H,14,15).
What are the key properties of N-[(2,4,5-trimethylphenyl)methyl]propanamide?
N-[(2,4,5-trimethylphenyl)methyl]propanamide has a molecular weight of 205.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,5-trimethylphenyl)methyl]propanamide is sourced from PubChem (CID 110783031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).