N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide

C27H36ClN3O4 — CID 5225840

IUPACN-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
SMILESCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C27H36ClN3O4/c1-3-4-5-6-7-8-9-10-26(32)29-19-27(33)31-30-18-22-13-16-24(25(17-22)34-2)35-20-21-11-14-23(28)15-12-21/h11-18H,3-10,19-20H2,1-2H3,(H,29,32)(H,31,33)
InChIKeyJIYNYDHVPCYQDC-UHFFFAOYSA-N
MW502.06 g/mol
LogP5.63
Rot. Bonds16

About N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide

N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide (PubChem CID 5225840) has the molecular formula C27H36ClN3O4 and a molecular weight of 502.06 g/mol. Its IUPAC name is N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide.

Molecular Properties

Compound NameN-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
PubChem CID5225840
Molecular FormulaC27H36ClN3O4
Molecular Weight502.06 g/mol
Exact Mass501.24
IUPAC NameN-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
SMILESCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C27H36ClN3O4/c1-3-4-5-6-7-8-9-10-26(32)29-19-27(33)31-30-18-22-13-16-24(25(17-22)34-2)35-20-21-11-14-23(28)15-12-21/h11-18H,3-10,19-20H2,1-2H3,(H,29,32)(H,31,33)
InChIKeyJIYNYDHVPCYQDC-UHFFFAOYSA-N
XLogP5.63
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.06
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 3688107
N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 3553870
[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 4680151
N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide
CID 3797207
[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
CID 3859539
3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3803468
N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 3512313
4-chloro-N-[2-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3285591
3-bromo-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3708830
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
[2-methoxy-4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 3824209

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide?
The IUPAC name of N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide (CID 5225840) is N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide.
What is the SMILES notation for N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide?
The canonical SMILES for N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide is CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide?
The InChIKey is JIYNYDHVPCYQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36ClN3O4/c1-3-4-5-6-7-8-9-10-26(32)29-19-27(33)31-30-18-22-13-16-24(25(17-22)34-2)35-20-21-11-14-23(28)15-12-21/h11-18H,3-10,19-20H2,1-2H3,(H,29,32)(H,31,33).
What are the key properties of N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide?
N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide has a molecular weight of 502.06 g/mol, XLogP of 5.63, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide is sourced from PubChem (CID 5225840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).