N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide

C14H21N3O — CID 5407219

IUPACN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
SMILESCC(C)CC(=O)N/N=C\c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21N3O/c1-11(2)9-14(18)16-15-10-12-5-7-13(8-6-12)17(3)4/h5-8,10-11H,9H2,1-4H3,(H,16,18)/b15-10-
InChIKeyWMOAOOWWLULXMW-GDNBJRDFSA-N
MW247.34 g/mol
LogP2.25
Rot. Bonds5

About N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide

N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide (PubChem CID 5407219) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
PubChem CID5407219
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
SMILESCC(C)CC(=O)N/N=C\c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21N3O/c1-11(2)9-14(18)16-15-10-12-5-7-13(8-6-12)17(3)4/h5-8,10-11H,9H2,1-4H3,(H,16,18)/b15-10-
InChIKeyWMOAOOWWLULXMW-GDNBJRDFSA-N
XLogP2.25
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.25
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-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
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'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide
CID 4106726
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide
CID 4245734
N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide
CID 94847602
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 5424889
2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 41092525
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 6900774

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide?
The IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide (CID 5407219) is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide.
What is the SMILES notation for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide?
The canonical SMILES for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide is CC(C)CC(=O)N/N=C\c1ccc(N(C)C)cc1.
What is the InChIKey of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide?
The InChIKey is WMOAOOWWLULXMW-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(2)9-14(18)16-15-10-12-5-7-13(8-6-12)17(3)4/h5-8,10-11H,9H2,1-4H3,(H,16,18)/b15-10-.
What are the key properties of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide?
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide has a molecular weight of 247.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide is sourced from PubChem (CID 5407219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).