N-[(4-aminophenyl)methylideneamino]-2-prop-1-enylpenta-2,4-dienamide

C15H17N3O — CID 123733247

IUPACN-[(4-aminophenyl)methylideneamino]-2-prop-1-enylpenta-2,4-dienamide
SMILESC=CC=C(C=CC)C(=O)NN=Cc1ccc(N)cc1
InChIInChI=1S/C15H17N3O/c1-3-5-13(6-4-2)15(19)18-17-11-12-7-9-14(16)10-8-12/h3-11H,1,16H2,2H3,(H,18,19)
InChIKeySBCMMVUVOAWXLD-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.41
Rot. Bonds5

About N-[(4-aminophenyl)methylideneamino]-2-prop-1-enylpenta-2,4-dienamide

N-[(4-aminophenyl)methylideneamino]-2-prop-1-enylpenta-2,4-dienamide (PubChem CID 123733247) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(4-aminophenyl)methylideneamino]-2-prop-1-enylpenta-2,4-dienamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methylideneamino]-2-prop-1-enylpenta-2,4-dienamide
PubChem CID123733247
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(4-aminophenyl)methylideneamino]-2-prop-1-enylpenta-2,4-dienamide
SMILESC=CC=C(C=CC)C(=O)NN=Cc1ccc(N)cc1
InChIInChI=1S/C15H17N3O/c1-3-5-13(6-4-2)15(19)18-17-11-12-7-9-14(16)10-8-12/h3-11H,1,16H2,2H3,(H,18,19)
InChIKeySBCMMVUVOAWXLD-UHFFFAOYSA-N
XLogP2.41
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methylideneamino]acetamide
CID 123694049
N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
CID 6248388
4-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136742442
4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide
CID 137178269
N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide
CID 94844116
2-(4-aminophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136789368
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135821314
4-amino-N-[(Z)-[3-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]-5-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98297741
N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 2590460
4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 5391862
N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 21212825

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methylideneamino]-2-prop-1-enylpenta-2,4-dienamide?
The IUPAC name of N-[(4-aminophenyl)methylideneamino]-2-prop-1-enylpenta-2,4-dienamide (CID 123733247) is N-[(4-aminophenyl)methylideneamino]-2-prop-1-enylpenta-2,4-dienamide.
What is the SMILES notation for N-[(4-aminophenyl)methylideneamino]-2-prop-1-enylpenta-2,4-dienamide?
The canonical SMILES for N-[(4-aminophenyl)methylideneamino]-2-prop-1-enylpenta-2,4-dienamide is C=CC=C(C=CC)C(=O)NN=Cc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methylideneamino]-2-prop-1-enylpenta-2,4-dienamide?
The InChIKey is SBCMMVUVOAWXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-5-13(6-4-2)15(19)18-17-11-12-7-9-14(16)10-8-12/h3-11H,1,16H2,2H3,(H,18,19).
What are the key properties of N-[(4-aminophenyl)methylideneamino]-2-prop-1-enylpenta-2,4-dienamide?
N-[(4-aminophenyl)methylideneamino]-2-prop-1-enylpenta-2,4-dienamide has a molecular weight of 255.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methylideneamino]-2-prop-1-enylpenta-2,4-dienamide is sourced from PubChem (CID 123733247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).