4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide

C28H33N3O3 — CID 67908932

IUPAC4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1ccc(OCCCCCOc2ccc(C=NN)cc2)cc1)c1ccccc1
InChIInChI=1S/C28H33N3O3/c1-22(2)31(25-9-5-3-6-10-25)28(32)24-13-17-27(18-14-24)34-20-8-4-7-19-33-26-15-11-23(12-16-26)21-30-29/h3,5-6,9-18,21-22H,4,7-8,19-20,29H2,1-2H3
InChIKeyRLDVVSJUKOFWIG-UHFFFAOYSA-N
MW459.59 g/mol
LogP5.66
Rot. Bonds12

About 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide

4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide (PubChem CID 67908932) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide
PubChem CID67908932
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC Name4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1ccc(OCCCCCOc2ccc(C=NN)cc2)cc1)c1ccccc1
InChIInChI=1S/C28H33N3O3/c1-22(2)31(25-9-5-3-6-10-25)28(32)24-13-17-27(18-14-24)34-20-8-4-7-19-33-26-15-11-23(12-16-26)21-30-29/h3,5-6,9-18,21-22H,4,7-8,19-20,29H2,1-2H3
InChIKeyRLDVVSJUKOFWIG-UHFFFAOYSA-N
XLogP5.66
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide
CID 142639027
3-chloro-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-di(propan-2-yl)benzamide
CID 67744746
3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide
CID 57300714
2-bromo-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-di(propan-2-yl)benzamide;hydrochloride
CID 139616749
methyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate
CID 168531338
N-benzyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
CID 67744844
(4-heptoxyphenyl)methylidenehydrazine
CID 168529039
4-[5-(4-carbamimidoylphenoxy)pentoxy]-2-chloro-N-phenyl-N-propan-2-ylbenzamide
CID 15340522
2-(2-amino-2-oxoethoxy)-4-[5-[4-[(E)-hydrazinylidenemethyl]phenoxy]pentoxy]-N,N-di(propan-2-yl)benzamide;hydrochloride
CID 19040944
4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride
CID 67744792
N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
CID 67744802
N-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide
CID 67780051

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide (CID 67908932) is 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide is CC(C)N(C(=O)c1ccc(OCCCCCOc2ccc(C=NN)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide?
The InChIKey is RLDVVSJUKOFWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-22(2)31(25-9-5-3-6-10-25)28(32)24-13-17-27(18-14-24)34-20-8-4-7-19-33-26-15-11-23(12-16-26)21-30-29/h3,5-6,9-18,21-22H,4,7-8,19-20,29H2,1-2H3.
What are the key properties of 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide?
4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide has a molecular weight of 459.59 g/mol, XLogP of 5.66, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 67908932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).