N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide

C24H39N3O4 — CID 135821939

IUPACN-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(O)c(OC)c1
InChIInChI=1S/C24H39N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-23(29)25-19-24(30)27-26-18-20-15-16-21(28)22(17-20)31-2/h15-18,28H,3-14,19H2,1-2H3,(H,25,29)(H,27,30)/b26-18+
InChIKeyWOJQRMJJJLFZBF-NLRVBDNBSA-N
MW433.59 g/mol
LogP4.67
Rot. Bonds17

About N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide

N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide (PubChem CID 135821939) has the molecular formula C24H39N3O4 and a molecular weight of 433.59 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
PubChem CID135821939
Molecular FormulaC24H39N3O4
Molecular Weight433.59 g/mol
Exact Mass433.29
IUPAC NameN-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(O)c(OC)c1
InChIInChI=1S/C24H39N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-23(29)25-19-24(30)27-26-18-20-15-16-21(28)22(17-20)31-2/h15-18,28H,3-14,19H2,1-2H3,(H,25,29)(H,27,30)/b26-18+
InChIKeyWOJQRMJJJLFZBF-NLRVBDNBSA-N
XLogP4.67
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 5010893
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
N-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]decanamide
CID 4207066
8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135757722
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide
CID 136676038
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide
CID 135684070
[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6020193
N-[2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 98296303
N-butyl-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 137085164
N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 5225840
[2-methoxy-4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 3824209
[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
CID 3870684

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide?
The IUPAC name of N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide (CID 135821939) is N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide.
What is the SMILES notation for N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide?
The canonical SMILES for N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(O)c(OC)c1.
What is the InChIKey of N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide?
The InChIKey is WOJQRMJJJLFZBF-NLRVBDNBSA-N. The full InChI is InChI=1S/C24H39N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-23(29)25-19-24(30)27-26-18-20-15-16-21(28)22(17-20)31-2/h15-18,28H,3-14,19H2,1-2H3,(H,25,29)(H,27,30)/b26-18+.
What are the key properties of N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide?
N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide has a molecular weight of 433.59 g/mol, XLogP of 4.67, 17 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide is sourced from PubChem (CID 135821939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).