3-(dimethylamino)-3-imino-N-(4-methylphenyl)propanamide

C12H17N3O — CID 574839

IUPAC3-(dimethylamino)-3-imino-N-(4-methylphenyl)propanamide
SMILES[H]/N=C(/CC(=O)Nc1ccc(C)cc1)N(C)C
InChIInChI=1S/C12H17N3O/c1-9-4-6-10(7-5-9)14-12(16)8-11(13)15(2)3/h4-7,13H,8H2,1-3H3,(H,14,16)/b13-11-
InChIKeyCRQIGDUCLLLZCJ-QBFSEMIESA-N
MW219.29 g/mol
LogP1.86
Rot. Bonds3

About 3-(dimethylamino)-3-imino-N-(4-methylphenyl)propanamide

3-(dimethylamino)-3-imino-N-(4-methylphenyl)propanamide (PubChem CID 574839) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(dimethylamino)-3-imino-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-3-imino-N-(4-methylphenyl)propanamide
PubChem CID574839
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(dimethylamino)-3-imino-N-(4-methylphenyl)propanamide
SMILES[H]/N=C(/CC(=O)Nc1ccc(C)cc1)N(C)C
InChIInChI=1S/C12H17N3O/c1-9-4-6-10(7-5-9)14-12(16)8-11(13)15(2)3/h4-7,13H,8H2,1-3H3,(H,14,16)/b13-11-
InChIKeyCRQIGDUCLLLZCJ-QBFSEMIESA-N
XLogP1.86
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-imino-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(dimethylamino)-3-imino-N-(4-methylphenyl)propanamide (CID 574839) is 3-(dimethylamino)-3-imino-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(dimethylamino)-3-imino-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(dimethylamino)-3-imino-N-(4-methylphenyl)propanamide is [H]/N=C(/CC(=O)Nc1ccc(C)cc1)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-imino-N-(4-methylphenyl)propanamide?
The InChIKey is CRQIGDUCLLLZCJ-QBFSEMIESA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-4-6-10(7-5-9)14-12(16)8-11(13)15(2)3/h4-7,13H,8H2,1-3H3,(H,14,16)/b13-11-.
What are the key properties of 3-(dimethylamino)-3-imino-N-(4-methylphenyl)propanamide?
3-(dimethylamino)-3-imino-N-(4-methylphenyl)propanamide has a molecular weight of 219.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-imino-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 574839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).