N-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]decanamide

C22H35N3O5 — CID 4207066

IUPACN-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]decanamide
SMILESCCCCCCCCCC(=O)NCC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H35N3O5/c1-5-6-7-8-9-10-11-12-20(26)23-16-21(27)25-24-15-17-13-18(28-2)22(30-4)19(14-17)29-3/h13-15H,5-12,16H2,1-4H3,(H,23,26)(H,25,27)
InChIKeyICNQHXPEZZRIOC-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.42
Rot. Bonds15

About N-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]decanamide

N-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]decanamide (PubChem CID 4207066) has the molecular formula C22H35N3O5 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]decanamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]decanamide
PubChem CID4207066
Molecular FormulaC22H35N3O5
Molecular Weight421.54 g/mol
Exact Mass421.26
IUPAC NameN-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]decanamide
SMILESCCCCCCCCCC(=O)NCC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H35N3O5/c1-5-6-7-8-9-10-11-12-20(26)23-16-21(27)25-24-15-17-13-18(28-2)22(30-4)19(14-17)29-3/h13-15H,5-12,16H2,1-4H3,(H,23,26)(H,25,27)
InChIKeyICNQHXPEZZRIOC-UHFFFAOYSA-N
XLogP3.42
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide
CID 6113773
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]nonanediamide
CID 98542039
N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 5010893
N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 135821939
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]hexanediamide
CID 6152520
N-[2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 98296303
N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 6260724
[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6020193
N-[2-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 6142119
N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 5225840
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide
CID 135717310
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]dodecanamide
CID 4163229

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]decanamide?
The IUPAC name of N-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]decanamide (CID 4207066) is N-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]decanamide.
What is the SMILES notation for N-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]decanamide?
The canonical SMILES for N-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]decanamide is CCCCCCCCCC(=O)NCC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]decanamide?
The InChIKey is ICNQHXPEZZRIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O5/c1-5-6-7-8-9-10-11-12-20(26)23-16-21(27)25-24-15-17-13-18(28-2)22(30-4)19(14-17)29-3/h13-15H,5-12,16H2,1-4H3,(H,23,26)(H,25,27).
What are the key properties of N-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]decanamide?
N-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]decanamide has a molecular weight of 421.54 g/mol, XLogP of 3.42, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]decanamide is sourced from PubChem (CID 4207066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).