N-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide

C20H31NO2 — CID 162388144

IUPACN-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide
SMILESCCCCCCCC(=O)NC/C=C\C(=O)CC1=CCC(C)C=C1
InChIInChI=1S/C20H31NO2/c1-3-4-5-6-7-10-20(23)21-15-8-9-19(22)16-18-13-11-17(2)12-14-18/h8-9,11,13-14,17H,3-7,10,12,15-16H2,1-2H3,(H,21,23)/b9-8-
InChIKeyDCLGCZWRAMNNKW-HJWRWDBZSA-N
MW317.47 g/mol
LogP4.50
Rot. Bonds11

About N-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide

N-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide (PubChem CID 162388144) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is N-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide.

Molecular Properties

Compound NameN-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide
PubChem CID162388144
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC NameN-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide
SMILESCCCCCCCC(=O)NC/C=C\C(=O)CC1=CCC(C)C=C1
InChIInChI=1S/C20H31NO2/c1-3-4-5-6-7-10-20(23)21-15-8-9-19(22)16-18-13-11-17(2)12-14-18/h8-9,11,13-14,17H,3-7,10,12,15-16H2,1-2H3,(H,21,23)/b9-8-
InChIKeyDCLGCZWRAMNNKW-HJWRWDBZSA-N
XLogP4.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(E)-non-2-enyl]hexanediamide
CID 101279958
N-(3-phenylprop-2-enyl)hexanamide
CID 54485378
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-prop-2-enyloctanamide
CID 4071942
N,N'-bis[(E)-hept-2-enyl]hexanediamide
CID 101279945
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
5-oxododec-3-enal
CID 175040606
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
(E)-henicos-9-en-11-one
CID 6366356

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide?
The IUPAC name of N-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide (CID 162388144) is N-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide.
What is the SMILES notation for N-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide?
The canonical SMILES for N-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide is CCCCCCCC(=O)NC/C=C\C(=O)CC1=CCC(C)C=C1.
What is the InChIKey of N-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide?
The InChIKey is DCLGCZWRAMNNKW-HJWRWDBZSA-N. The full InChI is InChI=1S/C20H31NO2/c1-3-4-5-6-7-10-20(23)21-15-8-9-19(22)16-18-13-11-17(2)12-14-18/h8-9,11,13-14,17H,3-7,10,12,15-16H2,1-2H3,(H,21,23)/b9-8-.
What are the key properties of N-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide?
N-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide has a molecular weight of 317.47 g/mol, XLogP of 4.50, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide is sourced from PubChem (CID 162388144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).