N-[(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienyl]nonanamide

C17H29NO3 — CID 154955461

IUPACN-[(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienyl]nonanamide
SMILESC=C(/C=C(/OC)C(=C)O)CNC(=O)CCCCCCCC
InChIInChI=1S/C17H29NO3/c1-5-6-7-8-9-10-11-17(20)18-13-14(2)12-16(21-4)15(3)19/h12,19H,2-3,5-11,13H2,1,4H3,(H,18,20)/b16-12+
InChIKeyQKJBDCAGADQHLI-FOWTUZBSSA-N
MW295.42 g/mol
LogP4.01
Rot. Bonds12

About N-[(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienyl]nonanamide

N-[(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienyl]nonanamide (PubChem CID 154955461) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienyl]nonanamide.

Molecular Properties

Compound NameN-[(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienyl]nonanamide
PubChem CID154955461
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienyl]nonanamide
SMILESC=C(/C=C(/OC)C(=C)O)CNC(=O)CCCCCCCC
InChIInChI=1S/C17H29NO3/c1-5-6-7-8-9-10-11-17(20)18-13-14(2)12-16(21-4)15(3)19/h12,19H,2-3,5-11,13H2,1,4H3,(H,18,20)/b16-12+
InChIKeyQKJBDCAGADQHLI-FOWTUZBSSA-N
XLogP4.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.01
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 N-[(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienyl]nonanamide 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

sodium;hydride;methyl 2-(dodecanoylamino)acetate
CID 175291448
sodium;2-(hexadecanoylamino)acetic acid;hydride
CID 173207705
potassium;hydride;2-(octadecanoylamino)acetic acid
CID 174739574
N-(2-bromoprop-2-enyl)hexanamide
CID 115594432
N-(hydroxymethyl)henicosanamide
CID 102116485
N-(methoxymethyl)hexadecanamide
CID 59805196
2-[4-(octanoylamino)butanoylamino]acetic acid
CID 170428184
2-[[(Z)-octadec-9-enoyl]amino]acetic acid
CID 6436908
2-[[(Z)-octadec-11-enoyl]amino]acetic acid
CID 135240006
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienyl]nonanamide?
The IUPAC name of N-[(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienyl]nonanamide (CID 154955461) is N-[(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienyl]nonanamide.
What is the SMILES notation for N-[(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienyl]nonanamide?
The canonical SMILES for N-[(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienyl]nonanamide is C=C(/C=C(/OC)C(=C)O)CNC(=O)CCCCCCCC.
What is the InChIKey of N-[(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienyl]nonanamide?
The InChIKey is QKJBDCAGADQHLI-FOWTUZBSSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-6-7-8-9-10-11-17(20)18-13-14(2)12-16(21-4)15(3)19/h12,19H,2-3,5-11,13H2,1,4H3,(H,18,20)/b16-12+.
What are the key properties of N-[(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienyl]nonanamide?
N-[(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienyl]nonanamide has a molecular weight of 295.42 g/mol, XLogP of 4.01, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienyl]nonanamide is sourced from PubChem (CID 154955461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).