N-[(4Z,6Z)-1-amino-1-oxoocta-4,6-dien-2-yl]-1-methylpyrrolidine-2-carboxamide;ethane

C16H29N3O2 — CID 143555723

IUPACN-[(4Z,6Z)-1-amino-1-oxoocta-4,6-dien-2-yl]-1-methylpyrrolidine-2-carboxamide;ethane
SMILESC/C=C\C=C/CC(NC(=O)C1CCCN1C)C(N)=O.CC
InChIInChI=1S/C14H23N3O2.C2H6/c1-3-4-5-6-8-11(13(15)18)16-14(19)12-9-7-10-17(12)2;1-2/h3-6,11-12H,7-10H2,1-2H3,(H2,15,18)(H,16,19);1-2H3/b4-3-,6-5-;
InChIKeyLCFXRGOSLCWZEH-LMOCLWJBSA-N
MW295.43 g/mol
LogP1.60
Rot. Bonds6

About N-[(4Z,6Z)-1-amino-1-oxoocta-4,6-dien-2-yl]-1-methylpyrrolidine-2-carboxamide;ethane

N-[(4Z,6Z)-1-amino-1-oxoocta-4,6-dien-2-yl]-1-methylpyrrolidine-2-carboxamide;ethane (PubChem CID 143555723) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[(4Z,6Z)-1-amino-1-oxoocta-4,6-dien-2-yl]-1-methylpyrrolidine-2-carboxamide;ethane.

Molecular Properties

Compound NameN-[(4Z,6Z)-1-amino-1-oxoocta-4,6-dien-2-yl]-1-methylpyrrolidine-2-carboxamide;ethane
PubChem CID143555723
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[(4Z,6Z)-1-amino-1-oxoocta-4,6-dien-2-yl]-1-methylpyrrolidine-2-carboxamide;ethane
SMILESC/C=C\C=C/CC(NC(=O)C1CCCN1C)C(N)=O.CC
InChIInChI=1S/C14H23N3O2.C2H6/c1-3-4-5-6-8-11(13(15)18)16-14(19)12-9-7-10-17(12)2;1-2/h3-6,11-12H,7-10H2,1-2H3,(H2,15,18)(H,16,19);1-2H3/b4-3-,6-5-;
InChIKeyLCFXRGOSLCWZEH-LMOCLWJBSA-N
XLogP1.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4Z,6Z)-1-amino-1-oxoocta-4,6-dien-2-yl]-1-methylpyrrolidine-2-carboxamide;ethane with MolForge

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Related Compounds

N-[(E)-8-amino-2-methyl-8-oxooct-5-en-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 44386090
(2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]-2,5-dihydropyrrole-2-carboxamide
CID 73354462
(2R)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]-2,5-dihydropyrrole-2-carboxamide
CID 73354463
N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]pyrrolidine-2-carboxamide
CID 144912267
N-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide
CID 153350983
(2S)-1-[2-[(2-cyclohexa-1,5-dien-1-ylacetyl)amino]acetyl]-N-(3-fluoro-2-oxopropyl)pyrrolidine-2-carboxamide
CID 155418284
(2R,4S)-4-fluoro-N-pent-4-en-2-ylpyrrolidine-2-carboxamide
CID 120469628
(2R,4S)-N-cyclopent-3-en-1-yl-4-fluoropyrrolidine-2-carboxamide
CID 130685196
N-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide
CID 143101764
N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170581837
N-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 170703778
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 4100367

Frequently Asked Questions

What is the IUPAC name of N-[(4Z,6Z)-1-amino-1-oxoocta-4,6-dien-2-yl]-1-methylpyrrolidine-2-carboxamide;ethane?
The IUPAC name of N-[(4Z,6Z)-1-amino-1-oxoocta-4,6-dien-2-yl]-1-methylpyrrolidine-2-carboxamide;ethane (CID 143555723) is N-[(4Z,6Z)-1-amino-1-oxoocta-4,6-dien-2-yl]-1-methylpyrrolidine-2-carboxamide;ethane.
What is the SMILES notation for N-[(4Z,6Z)-1-amino-1-oxoocta-4,6-dien-2-yl]-1-methylpyrrolidine-2-carboxamide;ethane?
The canonical SMILES for N-[(4Z,6Z)-1-amino-1-oxoocta-4,6-dien-2-yl]-1-methylpyrrolidine-2-carboxamide;ethane is C/C=C\C=C/CC(NC(=O)C1CCCN1C)C(N)=O.CC.
What is the InChIKey of N-[(4Z,6Z)-1-amino-1-oxoocta-4,6-dien-2-yl]-1-methylpyrrolidine-2-carboxamide;ethane?
The InChIKey is LCFXRGOSLCWZEH-LMOCLWJBSA-N. The full InChI is InChI=1S/C14H23N3O2.C2H6/c1-3-4-5-6-8-11(13(15)18)16-14(19)12-9-7-10-17(12)2;1-2/h3-6,11-12H,7-10H2,1-2H3,(H2,15,18)(H,16,19);1-2H3/b4-3-,6-5-;.
What are the key properties of N-[(4Z,6Z)-1-amino-1-oxoocta-4,6-dien-2-yl]-1-methylpyrrolidine-2-carboxamide;ethane?
N-[(4Z,6Z)-1-amino-1-oxoocta-4,6-dien-2-yl]-1-methylpyrrolidine-2-carboxamide;ethane has a molecular weight of 295.43 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z,6Z)-1-amino-1-oxoocta-4,6-dien-2-yl]-1-methylpyrrolidine-2-carboxamide;ethane is sourced from PubChem (CID 143555723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).