(2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide;3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide

C24H34N2O6 — CID 88603555

IUPAC(2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide;3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide
SMILESC/C=C/C/C=C/CCC(=O)C1OC1C(N)=O.C/C=C/C/C=C/CCC(=O)[C@H]1O[C@H]1C(N)=O
InChIInChI=1S/2C12H17NO3/c2*1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2*2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b2*3-2+,6-5+/t10-,11-;/m1./s1
InChIKeyYYYNGKNFDJAHGA-SKQAXLADSA-N
MW446.54 g/mol
LogP2.22
Rot. Bonds14

About (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide;3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide

(2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide;3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide (PubChem CID 88603555) has the molecular formula C24H34N2O6 and a molecular weight of 446.54 g/mol. Its IUPAC name is (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide;3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide;3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide
PubChem CID88603555
Molecular FormulaC24H34N2O6
Molecular Weight446.54 g/mol
Exact Mass446.24
IUPAC Name(2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide;3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide
SMILESC/C=C/C/C=C/CCC(=O)C1OC1C(N)=O.C/C=C/C/C=C/CCC(=O)[C@H]1O[C@H]1C(N)=O
InChIInChI=1S/2C12H17NO3/c2*1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2*2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b2*3-2+,6-5+/t10-,11-;/m1./s1
InChIKeyYYYNGKNFDJAHGA-SKQAXLADSA-N
XLogP2.22
TPSA145.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide;3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexadecanoic acid;(2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide;(E)-octadec-9-enoic acid
CID 6475203
(2R,3S)-3-[(3E,7E)-nona-3,7-dienoyl]oxirane-2-carboxamide
CID 7282199
(4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid
CID 88900992
(4E,7E,10E,13E,16E,19E)-henicosa-4,7,10,13,16,19-hexaenoic acid
CID 44602959
tetracosa-4,8,12,15,19,22-hexaenoic acid
CID 164519601
methyl 3-nona-3,7-dienoyloxirane-2-carboxylate
CID 76649280
2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane
CID 10702589
octacosa-20,23,26-trienoic acid
CID 169277364
henicosa-13,16,19-trienoic acid
CID 169277363
nonacosa-21,24,27-trienoic acid
CID 169276996
4-dodeca-4,7,10-trienyl-4-nitroheptanedioic acid
CID 72625957
acetic acid;(9E)-tetradeca-9,12-dien-1-ol
CID 122715473

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide;3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide?
The IUPAC name of (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide;3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide (CID 88603555) is (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide;3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide;3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide;3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide is C/C=C/C/C=C/CCC(=O)C1OC1C(N)=O.C/C=C/C/C=C/CCC(=O)[C@H]1O[C@H]1C(N)=O.
What is the InChIKey of (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide;3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide?
The InChIKey is YYYNGKNFDJAHGA-SKQAXLADSA-N. The full InChI is InChI=1S/2C12H17NO3/c2*1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2*2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b2*3-2+,6-5+/t10-,11-;/m1./s1.
What are the key properties of (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide;3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide?
(2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide;3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide has a molecular weight of 446.54 g/mol, XLogP of 2.22, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide;3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide is sourced from PubChem (CID 88603555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).