N-(2-amino-4,5-dimethylphenyl)propanamide

C11H16N2O — CID 28691521

IUPACN-(2-amino-4,5-dimethylphenyl)propanamide
SMILESCCC(=O)Nc1cc(C)c(C)cc1N
InChIInChI=1S/C11H16N2O/c1-4-11(14)13-10-6-8(3)7(2)5-9(10)12/h5-6H,4,12H2,1-3H3,(H,13,14)
InChIKeyQMHPPDBHTQJAJJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.23
Rot. Bonds2

About N-(2-amino-4,5-dimethylphenyl)propanamide

N-(2-amino-4,5-dimethylphenyl)propanamide (PubChem CID 28691521) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)propanamide
PubChem CID28691521
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-(2-amino-4,5-dimethylphenyl)propanamide
SMILESCCC(=O)Nc1cc(C)c(C)cc1N
InChIInChI=1S/C11H16N2O/c1-4-11(14)13-10-6-8(3)7(2)5-9(10)12/h5-6H,4,12H2,1-3H3,(H,13,14)
InChIKeyQMHPPDBHTQJAJJ-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4,5-dimethylphenyl)-3-methylbutanamide
CID 28691546
N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide
CID 28691585
N-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide
CID 112601871
N-(2-methoxy-4,5-dimethylphenyl)propanamide
CID 110776816
N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide
CID 62099099
N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide
CID 99969020
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide
CID 62100305
N-(2-amino-4,5-dimethylphenyl)-2-(3-bromophenyl)acetamide
CID 62097923
N-(4-iodo-2,5-dimethylphenyl)propanamide
CID 839810
N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide
CID 62098253
N-(2-amino-4,5-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205646

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)propanamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)propanamide (CID 28691521) is N-(2-amino-4,5-dimethylphenyl)propanamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)propanamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)propanamide is CCC(=O)Nc1cc(C)c(C)cc1N.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)propanamide?
The InChIKey is QMHPPDBHTQJAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-11(14)13-10-6-8(3)7(2)5-9(10)12/h5-6H,4,12H2,1-3H3,(H,13,14).
What are the key properties of N-(2-amino-4,5-dimethylphenyl)propanamide?
N-(2-amino-4,5-dimethylphenyl)propanamide has a molecular weight of 192.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethylphenyl)propanamide is sourced from PubChem (CID 28691521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).