ethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropan-1-ol;(5Z)-N-methyl-4-methylideneocta-5,7-dienamide

C23H41NO3 — CID 142368602

IUPACethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropan-1-ol;(5Z)-N-methyl-4-methylideneocta-5,7-dienamide
SMILESC=C/C=C\C(=C)CCC(=O)NC.C=C/C=C\C(=C)OCCCO.CC.CC
InChIInChI=1S/C10H15NO.C9H14O2.2C2H6/c1-4-5-6-9(2)7-8-10(12)11-3;1-3-4-6-9(2)11-8-5-7-10;2*1-2/h4-6H,1-2,7-8H2,3H3,(H,11,12);3-4,6,10H,1-2,5,7-8H2;2*1-2H3/b6-5-;6-4-;;
InChIKeyLVTXGEIEJVCNAD-FFFZRMHJSA-N
MW379.59 g/mol
LogP5.50
Rot. Bonds11

About ethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropan-1-ol;(5Z)-N-methyl-4-methylideneocta-5,7-dienamide

ethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropan-1-ol;(5Z)-N-methyl-4-methylideneocta-5,7-dienamide (PubChem CID 142368602) has the molecular formula C23H41NO3 and a molecular weight of 379.59 g/mol. Its IUPAC name is ethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropan-1-ol;(5Z)-N-methyl-4-methylideneocta-5,7-dienamide.

Molecular Properties

Compound Nameethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropan-1-ol;(5Z)-N-methyl-4-methylideneocta-5,7-dienamide
PubChem CID142368602
Molecular FormulaC23H41NO3
Molecular Weight379.59 g/mol
Exact Mass379.31
IUPAC Nameethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropan-1-ol;(5Z)-N-methyl-4-methylideneocta-5,7-dienamide
SMILESC=C/C=C\C(=C)CCC(=O)NC.C=C/C=C\C(=C)OCCCO.CC.CC
InChIInChI=1S/C10H15NO.C9H14O2.2C2H6/c1-4-5-6-9(2)7-8-10(12)11-3;1-3-4-6-9(2)11-8-5-7-10;2*1-2/h4-6H,1-2,7-8H2,3H3,(H,11,12);3-4,6,10H,1-2,5,7-8H2;2*1-2H3/b6-5-;6-4-;;
InChIKeyLVTXGEIEJVCNAD-FFFZRMHJSA-N
XLogP5.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropan-1-ol;(5Z)-N-methyl-4-methylideneocta-5,7-dienamide 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

(3Z)-2-butoxyhexa-1,3,5-triene
CID 142368588
(Z)-N-methyl-4-methylidenehept-5-enamide
CID 142368118
(6Z)-5-methylidenenona-6,8-dien-1-ol
CID 142368056
ethane;3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropan-1-ol
CID 153333983
3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol
CID 177319356
ethane;methyl N-amino-N-[(4Z)-3-methylidenehepta-4,6-dienyl]carbamate
CID 143852842
8-hydroxy-N-methyloctanamide;methane;N-methyl-3-[2-(methylamino)-2-oxoethoxy]propanamide
CID 158050690
methyl (4Z)-3-methylidenehepta-4,6-dienoate
CID 143290496
N-(2-methylidenehexa-3,5-dienyl)acetamide
CID 123691592
N-methyl-4-(sulfanylamino)butanamide
CID 59695052
5-(hydroxymethyl)-N-methylhex-5-enamide
CID 89257346
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropan-1-ol;(5Z)-N-methyl-4-methylideneocta-5,7-dienamide?
The IUPAC name of ethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropan-1-ol;(5Z)-N-methyl-4-methylideneocta-5,7-dienamide (CID 142368602) is ethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropan-1-ol;(5Z)-N-methyl-4-methylideneocta-5,7-dienamide.
What is the SMILES notation for ethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropan-1-ol;(5Z)-N-methyl-4-methylideneocta-5,7-dienamide?
The canonical SMILES for ethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropan-1-ol;(5Z)-N-methyl-4-methylideneocta-5,7-dienamide is C=C/C=C\C(=C)CCC(=O)NC.C=C/C=C\C(=C)OCCCO.CC.CC.
What is the InChIKey of ethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropan-1-ol;(5Z)-N-methyl-4-methylideneocta-5,7-dienamide?
The InChIKey is LVTXGEIEJVCNAD-FFFZRMHJSA-N. The full InChI is InChI=1S/C10H15NO.C9H14O2.2C2H6/c1-4-5-6-9(2)7-8-10(12)11-3;1-3-4-6-9(2)11-8-5-7-10;2*1-2/h4-6H,1-2,7-8H2,3H3,(H,11,12);3-4,6,10H,1-2,5,7-8H2;2*1-2H3/b6-5-;6-4-;;.
What are the key properties of ethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropan-1-ol;(5Z)-N-methyl-4-methylideneocta-5,7-dienamide?
ethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropan-1-ol;(5Z)-N-methyl-4-methylideneocta-5,7-dienamide has a molecular weight of 379.59 g/mol, XLogP of 5.50, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropan-1-ol;(5Z)-N-methyl-4-methylideneocta-5,7-dienamide is sourced from PubChem (CID 142368602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).