3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide

C11H15N3O — CID 99990198

IUPAC3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide
SMILES[H]/N=C(\N)CC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C11H15N3O/c1-7-3-4-9(8(2)5-7)14-11(15)6-10(12)13/h3-5H,6H2,1-2H3,(H3,12,13)(H,14,15)
InChIKeyQASKXCRTMFRTLS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.57
Rot. Bonds3

About 3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide

3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide (PubChem CID 99990198) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide
PubChem CID99990198
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide
SMILES[H]/N=C(\N)CC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C11H15N3O/c1-7-3-4-9(8(2)5-7)14-11(15)6-10(12)13/h3-5H,6H2,1-2H3,(H3,12,13)(H,14,15)
InChIKeyQASKXCRTMFRTLS-UHFFFAOYSA-N
XLogP1.57
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide
CID 167944439
3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide
CID 99990373
2-(4-bromophenyl)-N-(2,4-dimethylphenyl)acetamide
CID 2600129
2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide
CID 63590839
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
N'-(2-bromophenyl)-N-(2,4-dimethylphenyl)propanediamide
CID 108953507
N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide
CID 108941058
2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 28447
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate
CID 7776162
N-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide
CID 99976130

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide?
The IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide (CID 99990198) is 3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide?
The canonical SMILES for 3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide is [H]/N=C(\N)CC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of 3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide?
The InChIKey is QASKXCRTMFRTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-3-4-9(8(2)5-7)14-11(15)6-10(12)13/h3-5H,6H2,1-2H3,(H3,12,13)(H,14,15).
What are the key properties of 3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide?
3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide has a molecular weight of 205.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide is sourced from PubChem (CID 99990198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).