(2E,3Z)-N-(1-amino-1,3-dioxobutan-2-yl)-N,5-dimethyl-2-propylidenehexa-3,5-dienamide

C15H22N2O3 — CID 138716146

IUPAC(2E,3Z)-N-(1-amino-1,3-dioxobutan-2-yl)-N,5-dimethyl-2-propylidenehexa-3,5-dienamide
SMILESC=C(C)/C=C\C(=C/CC)C(=O)N(C)C(C(C)=O)C(N)=O
InChIInChI=1S/C15H22N2O3/c1-6-7-12(9-8-10(2)3)15(20)17(5)13(11(4)18)14(16)19/h7-9,13H,2,6H2,1,3-5H3,(H2,16,19)/b9-8-,12-7+
InChIKeyFCKVXZSPTZTELM-ZHCAKQDLSA-N
MW278.35 g/mol
LogP1.36
Rot. Bonds7

About (2E,3Z)-N-(1-amino-1,3-dioxobutan-2-yl)-N,5-dimethyl-2-propylidenehexa-3,5-dienamide

(2E,3Z)-N-(1-amino-1,3-dioxobutan-2-yl)-N,5-dimethyl-2-propylidenehexa-3,5-dienamide (PubChem CID 138716146) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2E,3Z)-N-(1-amino-1,3-dioxobutan-2-yl)-N,5-dimethyl-2-propylidenehexa-3,5-dienamide.

Molecular Properties

Compound Name(2E,3Z)-N-(1-amino-1,3-dioxobutan-2-yl)-N,5-dimethyl-2-propylidenehexa-3,5-dienamide
PubChem CID138716146
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2E,3Z)-N-(1-amino-1,3-dioxobutan-2-yl)-N,5-dimethyl-2-propylidenehexa-3,5-dienamide
SMILESC=C(C)/C=C\C(=C/CC)C(=O)N(C)C(C(C)=O)C(N)=O
InChIInChI=1S/C15H22N2O3/c1-6-7-12(9-8-10(2)3)15(20)17(5)13(11(4)18)14(16)19/h7-9,13H,2,6H2,1,3-5H3,(H2,16,19)/b9-8-,12-7+
InChIKeyFCKVXZSPTZTELM-ZHCAKQDLSA-N
XLogP1.36
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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 (2E,3Z)-N-(1-amino-1,3-dioxobutan-2-yl)-N,5-dimethyl-2-propylidenehexa-3,5-dienamide?
The IUPAC name of (2E,3Z)-N-(1-amino-1,3-dioxobutan-2-yl)-N,5-dimethyl-2-propylidenehexa-3,5-dienamide (CID 138716146) is (2E,3Z)-N-(1-amino-1,3-dioxobutan-2-yl)-N,5-dimethyl-2-propylidenehexa-3,5-dienamide.
What is the SMILES notation for (2E,3Z)-N-(1-amino-1,3-dioxobutan-2-yl)-N,5-dimethyl-2-propylidenehexa-3,5-dienamide?
The canonical SMILES for (2E,3Z)-N-(1-amino-1,3-dioxobutan-2-yl)-N,5-dimethyl-2-propylidenehexa-3,5-dienamide is C=C(C)/C=C\C(=C/CC)C(=O)N(C)C(C(C)=O)C(N)=O.
What is the InChIKey of (2E,3Z)-N-(1-amino-1,3-dioxobutan-2-yl)-N,5-dimethyl-2-propylidenehexa-3,5-dienamide?
The InChIKey is FCKVXZSPTZTELM-ZHCAKQDLSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-6-7-12(9-8-10(2)3)15(20)17(5)13(11(4)18)14(16)19/h7-9,13H,2,6H2,1,3-5H3,(H2,16,19)/b9-8-,12-7+.
What are the key properties of (2E,3Z)-N-(1-amino-1,3-dioxobutan-2-yl)-N,5-dimethyl-2-propylidenehexa-3,5-dienamide?
(2E,3Z)-N-(1-amino-1,3-dioxobutan-2-yl)-N,5-dimethyl-2-propylidenehexa-3,5-dienamide has a molecular weight of 278.35 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-N-(1-amino-1,3-dioxobutan-2-yl)-N,5-dimethyl-2-propylidenehexa-3,5-dienamide is sourced from PubChem (CID 138716146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).