N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide

C12H17N3O — CID 22613567

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
SMILESCCC(=O)N/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C12H17N3O/c1-4-12(16)14-13-9-10-5-7-11(8-6-10)15(2)3/h5-9H,4H2,1-3H3,(H,14,16)/b13-9+
InChIKeyHXQUXDXSBMFBAK-UKTHLTGXSA-N
MW219.29 g/mol
LogP1.61
Rot. Bonds4

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide (PubChem CID 22613567) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
PubChem CID22613567
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
SMILESCCC(=O)N/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C12H17N3O/c1-4-12(16)14-13-9-10-5-7-11(8-6-10)15(2)3/h5-9H,4H2,1-3H3,(H,14,16)/b13-9+
InChIKeyHXQUXDXSBMFBAK-UKTHLTGXSA-N
XLogP1.61
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide
CID 45356630
N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 171981399
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride
CID 163329045
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5416713
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide
CID 4106726
N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 29172527
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide
CID 4245734
N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide
CID 94847602
N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide
CID 174961803

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide (CID 22613567) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide is CCC(=O)N/N=C/c1ccc(N(C)C)cc1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide?
The InChIKey is HXQUXDXSBMFBAK-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-12(16)14-13-9-10-5-7-11(8-6-10)15(2)3/h5-9H,4H2,1-3H3,(H,14,16)/b13-9+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide has a molecular weight of 219.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide is sourced from PubChem (CID 22613567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).