N-[(2,5-dimethylphenyl)methyl]acetamide

C11H15NO — CID 759326

IUPACN-[(2,5-dimethylphenyl)methyl]acetamide
SMILESCC(=O)NCc1cc(C)ccc1C
InChIInChI=1S/C11H15NO/c1-8-4-5-9(2)11(6-8)7-12-10(3)13/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyNPGIOYNSZXMAPZ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.94
Rot. Bonds2

About N-[(2,5-dimethylphenyl)methyl]acetamide

N-[(2,5-dimethylphenyl)methyl]acetamide (PubChem CID 759326) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]acetamide
PubChem CID759326
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-[(2,5-dimethylphenyl)methyl]acetamide
SMILESCC(=O)NCc1cc(C)ccc1C
InChIInChI=1S/C11H15NO/c1-8-4-5-9(2)11(6-8)7-12-10(3)13/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyNPGIOYNSZXMAPZ-UHFFFAOYSA-N
XLogP1.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
1-amino-3-[(2,5-dimethylphenyl)methyl]urea
CID 115192596
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
CID 110774794
2-[(2,5-dimethylphenyl)methylamino]ethylurea
CID 83111203
3-bromo-N-[(2,5-dimethylphenyl)methyl]propanamide
CID 82109130
methyl 2-[(2,5-dimethylphenyl)methylamino]acetate
CID 60687577
2,3-dichloro-N-[(2,5-dimethylphenyl)methyl]benzamide
CID 23019861
N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-methylphenyl]methyl]acetamide
CID 155568129
1-(2,5-dimethylphenyl)pentane-2,4-dione
CID 82076929
4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide
CID 115156350

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]acetamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]acetamide (CID 759326) is N-[(2,5-dimethylphenyl)methyl]acetamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]acetamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]acetamide is CC(=O)NCc1cc(C)ccc1C.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]acetamide?
The InChIKey is NPGIOYNSZXMAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-4-5-9(2)11(6-8)7-12-10(3)13/h4-6H,7H2,1-3H3,(H,12,13).
What are the key properties of N-[(2,5-dimethylphenyl)methyl]acetamide?
N-[(2,5-dimethylphenyl)methyl]acetamide has a molecular weight of 177.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]acetamide is sourced from PubChem (CID 759326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).