N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide

C24H33N3O4 — CID 67744802

IUPACN,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(OCCCCCOc2ccc(C=NN)cc2)c(OC)c1
InChIInChI=1S/C24H33N3O4/c1-4-27(5-2)24(28)20-11-14-22(23(17-20)29-3)31-16-8-6-7-15-30-21-12-9-19(10-13-21)18-26-25/h9-14,17-18H,4-8,15-16,25H2,1-3H3
InChIKeyKJTXVIVHUMYCJV-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.10
Rot. Bonds13

About N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide

N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide (PubChem CID 67744802) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
PubChem CID67744802
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC NameN,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(OCCCCCOc2ccc(C=NN)cc2)c(OC)c1
InChIInChI=1S/C24H33N3O4/c1-4-27(5-2)24(28)20-11-14-22(23(17-20)29-3)31-16-8-6-7-15-30-21-12-9-19(10-13-21)18-26-25/h9-14,17-18H,4-8,15-16,25H2,1-3H3
InChIKeyKJTXVIVHUMYCJV-UHFFFAOYSA-N
XLogP4.10
TPSA86.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide?
The IUPAC name of N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide (CID 67744802) is N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide.
What is the SMILES notation for N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide?
The canonical SMILES for N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide is CCN(CC)C(=O)c1ccc(OCCCCCOc2ccc(C=NN)cc2)c(OC)c1.
What is the InChIKey of N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide?
The InChIKey is KJTXVIVHUMYCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-4-27(5-2)24(28)20-11-14-22(23(17-20)29-3)31-16-8-6-7-15-30-21-12-9-19(10-13-21)18-26-25/h9-14,17-18H,4-8,15-16,25H2,1-3H3.
What are the key properties of N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide?
N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide has a molecular weight of 427.55 g/mol, XLogP of 4.10, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide is sourced from PubChem (CID 67744802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).