N-propan-2-yl-3-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide

C14H20N4O — CID 165404047

IUPACN-propan-2-yl-3-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide
SMILESCC(C)NC(=O)c1cccc(/C(N)=C/C=C(N)N)c1
InChIInChI=1S/C14H20N4O/c1-9(2)18-14(19)11-5-3-4-10(8-11)12(15)6-7-13(16)17/h3-9H,15-17H2,1-2H3,(H,18,19)/b12-6-
InChIKeyGROJSYNCCODBEU-SDQBBNPISA-N
MW260.34 g/mol
LogP0.88
Rot. Bonds4

About N-propan-2-yl-3-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide

N-propan-2-yl-3-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide (PubChem CID 165404047) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-propan-2-yl-3-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide
PubChem CID165404047
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-propan-2-yl-3-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide
SMILESCC(C)NC(=O)c1cccc(/C(N)=C/C=C(N)N)c1
InChIInChI=1S/C14H20N4O/c1-9(2)18-14(19)11-5-3-4-10(8-11)12(15)6-7-13(16)17/h3-9H,15-17H2,1-2H3,(H,18,19)/b12-6-
InChIKeyGROJSYNCCODBEU-SDQBBNPISA-N
XLogP0.88
TPSA107.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide?
The IUPAC name of N-propan-2-yl-3-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide (CID 165404047) is N-propan-2-yl-3-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide.
What is the SMILES notation for N-propan-2-yl-3-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide?
The canonical SMILES for N-propan-2-yl-3-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide is CC(C)NC(=O)c1cccc(/C(N)=C/C=C(N)N)c1.
What is the InChIKey of N-propan-2-yl-3-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide?
The InChIKey is GROJSYNCCODBEU-SDQBBNPISA-N. The full InChI is InChI=1S/C14H20N4O/c1-9(2)18-14(19)11-5-3-4-10(8-11)12(15)6-7-13(16)17/h3-9H,15-17H2,1-2H3,(H,18,19)/b12-6-.
What are the key properties of N-propan-2-yl-3-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide?
N-propan-2-yl-3-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide has a molecular weight of 260.34 g/mol, XLogP of 0.88, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide is sourced from PubChem (CID 165404047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).