4-(dimethylamino)-3-hydroxy-N-methylpenta-2,4-dienamide

C8H14N2O2 — CID 158030806

IUPAC4-(dimethylamino)-3-hydroxy-N-methylpenta-2,4-dienamide
SMILESC=C(C(O)=CC(=O)NC)N(C)C
InChIInChI=1S/C8H14N2O2/c1-6(10(3)4)7(11)5-8(12)9-2/h5,11H,1H2,2-4H3,(H,9,12)
InChIKeyNWKVWSMQIVBUAF-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.25
Rot. Bonds3

About 4-(dimethylamino)-3-hydroxy-N-methylpenta-2,4-dienamide

4-(dimethylamino)-3-hydroxy-N-methylpenta-2,4-dienamide (PubChem CID 158030806) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-(dimethylamino)-3-hydroxy-N-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name4-(dimethylamino)-3-hydroxy-N-methylpenta-2,4-dienamide
PubChem CID158030806
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name4-(dimethylamino)-3-hydroxy-N-methylpenta-2,4-dienamide
SMILESC=C(C(O)=CC(=O)NC)N(C)C
InChIInChI=1S/C8H14N2O2/c1-6(10(3)4)7(11)5-8(12)9-2/h5,11H,1H2,2-4H3,(H,9,12)
InChIKeyNWKVWSMQIVBUAF-UHFFFAOYSA-N
XLogP0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-hydroxy-N-methylpenta-2,4-dienamide?
The IUPAC name of 4-(dimethylamino)-3-hydroxy-N-methylpenta-2,4-dienamide (CID 158030806) is 4-(dimethylamino)-3-hydroxy-N-methylpenta-2,4-dienamide.
What is the SMILES notation for 4-(dimethylamino)-3-hydroxy-N-methylpenta-2,4-dienamide?
The canonical SMILES for 4-(dimethylamino)-3-hydroxy-N-methylpenta-2,4-dienamide is C=C(C(O)=CC(=O)NC)N(C)C.
What is the InChIKey of 4-(dimethylamino)-3-hydroxy-N-methylpenta-2,4-dienamide?
The InChIKey is NWKVWSMQIVBUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(10(3)4)7(11)5-8(12)9-2/h5,11H,1H2,2-4H3,(H,9,12).
What are the key properties of 4-(dimethylamino)-3-hydroxy-N-methylpenta-2,4-dienamide?
4-(dimethylamino)-3-hydroxy-N-methylpenta-2,4-dienamide has a molecular weight of 170.21 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-hydroxy-N-methylpenta-2,4-dienamide is sourced from PubChem (CID 158030806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).