(2E)-N-[(3S)-3-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

C16H24N2O3 — CID 143401772

IUPAC(2E)-N-[(3S)-3-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C(\C=C/C)C(=O)NC(C(=O)NCC=O)[C@@H](C)CC
InChIInChI=1S/C16H24N2O3/c1-5-8-13(9-6-2)15(20)18-14(12(4)7-3)16(21)17-10-11-19/h5-6,8-9,11-12,14H,1,7,10H2,2-4H3,(H,17,21)(H,18,20)/b9-6-,13-8+/t12-,14?/m0/s1
InChIKeyOTLGFAQPQKQCAP-ABMQOLKZSA-N
MW292.38 g/mol
LogP1.52
Rot. Bonds9

About (2E)-N-[(3S)-3-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

(2E)-N-[(3S)-3-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (PubChem CID 143401772) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2E)-N-[(3S)-3-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-[(3S)-3-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
PubChem CID143401772
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2E)-N-[(3S)-3-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C(\C=C/C)C(=O)NC(C(=O)NCC=O)[C@@H](C)CC
InChIInChI=1S/C16H24N2O3/c1-5-8-13(9-6-2)15(20)18-14(12(4)7-3)16(21)17-10-11-19/h5-6,8-9,11-12,14H,1,7,10H2,2-4H3,(H,17,21)(H,18,20)/b9-6-,13-8+/t12-,14?/m0/s1
InChIKeyOTLGFAQPQKQCAP-ABMQOLKZSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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)-N-[(3S)-3-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The IUPAC name of (2E)-N-[(3S)-3-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (CID 143401772) is (2E)-N-[(3S)-3-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-N-[(3S)-3-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The canonical SMILES for (2E)-N-[(3S)-3-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is C=C/C=C(\C=C/C)C(=O)NC(C(=O)NCC=O)[C@@H](C)CC.
What is the InChIKey of (2E)-N-[(3S)-3-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The InChIKey is OTLGFAQPQKQCAP-ABMQOLKZSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-8-13(9-6-2)15(20)18-14(12(4)7-3)16(21)17-10-11-19/h5-6,8-9,11-12,14H,1,7,10H2,2-4H3,(H,17,21)(H,18,20)/b9-6-,13-8+/t12-,14?/m0/s1.
What are the key properties of (2E)-N-[(3S)-3-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
(2E)-N-[(3S)-3-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide has a molecular weight of 292.38 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(3S)-3-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is sourced from PubChem (CID 143401772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).