(3Z,4Z)-3-ethylidene-N-(5-formamido-5-oxopentan-2-yl)-5-methylhepta-4,6-dienamide

C16H24N2O3 — CID 177240198

IUPAC(3Z,4Z)-3-ethylidene-N-(5-formamido-5-oxopentan-2-yl)-5-methylhepta-4,6-dienamide
SMILESC=C/C(C)=C\C(=C/C)CC(=O)NC(C)CCC(=O)NC=O
InChIInChI=1S/C16H24N2O3/c1-5-12(3)9-14(6-2)10-16(21)18-13(4)7-8-15(20)17-11-19/h5-6,9,11,13H,1,7-8,10H2,2-4H3,(H,18,21)(H,17,19,20)/b12-9-,14-6+
InChIKeyHDDNEOBYTQRVBE-TTXSMSCVSA-N
MW292.38 g/mol
LogP2.01
Rot. Bonds9

About (3Z,4Z)-3-ethylidene-N-(5-formamido-5-oxopentan-2-yl)-5-methylhepta-4,6-dienamide

(3Z,4Z)-3-ethylidene-N-(5-formamido-5-oxopentan-2-yl)-5-methylhepta-4,6-dienamide (PubChem CID 177240198) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3Z,4Z)-3-ethylidene-N-(5-formamido-5-oxopentan-2-yl)-5-methylhepta-4,6-dienamide.

Molecular Properties

Compound Name(3Z,4Z)-3-ethylidene-N-(5-formamido-5-oxopentan-2-yl)-5-methylhepta-4,6-dienamide
PubChem CID177240198
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(3Z,4Z)-3-ethylidene-N-(5-formamido-5-oxopentan-2-yl)-5-methylhepta-4,6-dienamide
SMILESC=C/C(C)=C\C(=C/C)CC(=O)NC(C)CCC(=O)NC=O
InChIInChI=1S/C16H24N2O3/c1-5-12(3)9-14(6-2)10-16(21)18-13(4)7-8-15(20)17-11-19/h5-6,9,11,13H,1,7-8,10H2,2-4H3,(H,18,21)(H,17,19,20)/b12-9-,14-6+
InChIKeyHDDNEOBYTQRVBE-TTXSMSCVSA-N
XLogP2.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-3-ethylidene-N-(5-formamido-5-oxopentan-2-yl)-5-methylhepta-4,6-dienamide?
The IUPAC name of (3Z,4Z)-3-ethylidene-N-(5-formamido-5-oxopentan-2-yl)-5-methylhepta-4,6-dienamide (CID 177240198) is (3Z,4Z)-3-ethylidene-N-(5-formamido-5-oxopentan-2-yl)-5-methylhepta-4,6-dienamide.
What is the SMILES notation for (3Z,4Z)-3-ethylidene-N-(5-formamido-5-oxopentan-2-yl)-5-methylhepta-4,6-dienamide?
The canonical SMILES for (3Z,4Z)-3-ethylidene-N-(5-formamido-5-oxopentan-2-yl)-5-methylhepta-4,6-dienamide is C=C/C(C)=C\C(=C/C)CC(=O)NC(C)CCC(=O)NC=O.
What is the InChIKey of (3Z,4Z)-3-ethylidene-N-(5-formamido-5-oxopentan-2-yl)-5-methylhepta-4,6-dienamide?
The InChIKey is HDDNEOBYTQRVBE-TTXSMSCVSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-12(3)9-14(6-2)10-16(21)18-13(4)7-8-15(20)17-11-19/h5-6,9,11,13H,1,7-8,10H2,2-4H3,(H,18,21)(H,17,19,20)/b12-9-,14-6+.
What are the key properties of (3Z,4Z)-3-ethylidene-N-(5-formamido-5-oxopentan-2-yl)-5-methylhepta-4,6-dienamide?
(3Z,4Z)-3-ethylidene-N-(5-formamido-5-oxopentan-2-yl)-5-methylhepta-4,6-dienamide has a molecular weight of 292.38 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3-ethylidene-N-(5-formamido-5-oxopentan-2-yl)-5-methylhepta-4,6-dienamide is sourced from PubChem (CID 177240198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).