2-(2-methylphenyl)-N-(2-methylpropoxy)acetamide

C13H19NO2 — CID 115409697

IUPAC2-(2-methylphenyl)-N-(2-methylpropoxy)acetamide
SMILESCc1ccccc1CC(=O)NOCC(C)C
InChIInChI=1S/C13H19NO2/c1-10(2)9-16-14-13(15)8-12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyOFAAPAAIMIUEHK-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.24
Rot. Bonds5

About 2-(2-methylphenyl)-N-(2-methylpropoxy)acetamide

2-(2-methylphenyl)-N-(2-methylpropoxy)acetamide (PubChem CID 115409697) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(2-methylpropoxy)acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(2-methylpropoxy)acetamide
PubChem CID115409697
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(2-methylphenyl)-N-(2-methylpropoxy)acetamide
SMILESCc1ccccc1CC(=O)NOCC(C)C
InChIInChI=1S/C13H19NO2/c1-10(2)9-16-14-13(15)8-12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyOFAAPAAIMIUEHK-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenyl)-N-phenylmethoxyacetamide
CID 32578031
2-(2-methylphenyl)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 26163358
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
N-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide
CID 82710042
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methylphenyl)acetamide
CID 81424785
(2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide
CID 104898288
2-(2-hydroxyphenoxy)-N-(2-methylpropoxy)acetamide
CID 115410289
N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 47106591
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)acetyl]amino]phenyl]acetamide
CID 26164464
ethyl (2S)-2-methyl-3-(2-methylphenyl)propanoate
CID 125424870
N-ethoxy-3-(2-methylphenyl)propanamide
CID 63290155
N-(2-methylpropoxy)-2-phenoxypropanamide
CID 113304383

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(2-methylpropoxy)acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-(2-methylpropoxy)acetamide (CID 115409697) is 2-(2-methylphenyl)-N-(2-methylpropoxy)acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(2-methylpropoxy)acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(2-methylpropoxy)acetamide is Cc1ccccc1CC(=O)NOCC(C)C.
What is the InChIKey of 2-(2-methylphenyl)-N-(2-methylpropoxy)acetamide?
The InChIKey is OFAAPAAIMIUEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)9-16-14-13(15)8-12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3,(H,14,15).
What are the key properties of 2-(2-methylphenyl)-N-(2-methylpropoxy)acetamide?
2-(2-methylphenyl)-N-(2-methylpropoxy)acetamide has a molecular weight of 221.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(2-methylpropoxy)acetamide is sourced from PubChem (CID 115409697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).