2-(3-amino-5-methylanilino)-N-propylpropanamide

C13H21N3O — CID 112647452

IUPAC2-(3-amino-5-methylanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc(C)cc(N)c1
InChIInChI=1S/C13H21N3O/c1-4-5-15-13(17)10(3)16-12-7-9(2)6-11(14)8-12/h6-8,10,16H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyUSEVOAHTNZWNMR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.90
Rot. Bonds5

About 2-(3-amino-5-methylanilino)-N-propylpropanamide

2-(3-amino-5-methylanilino)-N-propylpropanamide (PubChem CID 112647452) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(3-amino-5-methylanilino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(3-amino-5-methylanilino)-N-propylpropanamide
PubChem CID112647452
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(3-amino-5-methylanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc(C)cc(N)c1
InChIInChI=1S/C13H21N3O/c1-4-5-15-13(17)10(3)16-12-7-9(2)6-11(14)8-12/h6-8,10,16H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyUSEVOAHTNZWNMR-UHFFFAOYSA-N
XLogP1.90
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
2-(3-fluoro-5-methylanilino)-N-propylpropanamide
CID 79055254
2-(3,5-dimethylanilino)-N-ethylpropanamide
CID 43086091
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 39912363
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide
CID 28835532
2-(3-amino-5-propoxyanilino)-N-ethylpropanamide
CID 80738482
2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide
CID 43084818
2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867
2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 104937932
2-(4-methylsulfanylanilino)-N-propylpropanamide
CID 43088199
2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide
CID 80897022

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methylanilino)-N-propylpropanamide?
The IUPAC name of 2-(3-amino-5-methylanilino)-N-propylpropanamide (CID 112647452) is 2-(3-amino-5-methylanilino)-N-propylpropanamide.
What is the SMILES notation for 2-(3-amino-5-methylanilino)-N-propylpropanamide?
The canonical SMILES for 2-(3-amino-5-methylanilino)-N-propylpropanamide is CCCNC(=O)C(C)Nc1cc(C)cc(N)c1.
What is the InChIKey of 2-(3-amino-5-methylanilino)-N-propylpropanamide?
The InChIKey is USEVOAHTNZWNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-5-15-13(17)10(3)16-12-7-9(2)6-11(14)8-12/h6-8,10,16H,4-5,14H2,1-3H3,(H,15,17).
What are the key properties of 2-(3-amino-5-methylanilino)-N-propylpropanamide?
2-(3-amino-5-methylanilino)-N-propylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methylanilino)-N-propylpropanamide is sourced from PubChem (CID 112647452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).