4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride

C27H40ClN3O5 — CID 67744792

IUPAC4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride
SMILESCOc1c(OCCCCCOc2ccc(C=NN)cc2)ccc(C(=O)N(C(C)C)C(C)C)c1OC.Cl
InChIInChI=1S/C27H39N3O5.ClH/c1-19(2)30(20(3)4)27(31)23-14-15-24(26(33-6)25(23)32-5)35-17-9-7-8-16-34-22-12-10-21(11-13-22)18-29-28;/h10-15,18-20H,7-9,16-17,28H2,1-6H3;1H
InChIKeyIDJIOXRLIMEBSM-UHFFFAOYSA-N
MW522.09 g/mol
LogP5.31
Rot. Bonds14

About 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride

4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride (PubChem CID 67744792) has the molecular formula C27H40ClN3O5 and a molecular weight of 522.09 g/mol. Its IUPAC name is 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride
PubChem CID67744792
Molecular FormulaC27H40ClN3O5
Molecular Weight522.09 g/mol
Exact Mass521.27
IUPAC Name4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride
SMILESCOc1c(OCCCCCOc2ccc(C=NN)cc2)ccc(C(=O)N(C(C)C)C(C)C)c1OC.Cl
InChIInChI=1S/C27H39N3O5.ClH/c1-19(2)30(20(3)4)27(31)23-14-15-24(26(33-6)25(23)32-5)35-17-9-7-8-16-34-22-12-10-21(11-13-22)18-29-28;/h10-15,18-20H,7-9,16-17,28H2,1-6H3;1H
InChIKeyIDJIOXRLIMEBSM-UHFFFAOYSA-N
XLogP5.31
TPSA95.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.09
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

Analyze 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride?
The IUPAC name of 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride (CID 67744792) is 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride?
The canonical SMILES for 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride is COc1c(OCCCCCOc2ccc(C=NN)cc2)ccc(C(=O)N(C(C)C)C(C)C)c1OC.Cl.
What is the InChIKey of 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride?
The InChIKey is IDJIOXRLIMEBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O5.ClH/c1-19(2)30(20(3)4)27(31)23-14-15-24(26(33-6)25(23)32-5)35-17-9-7-8-16-34-22-12-10-21(11-13-22)18-29-28;/h10-15,18-20H,7-9,16-17,28H2,1-6H3;1H.
What are the key properties of 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride?
4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride has a molecular weight of 522.09 g/mol, XLogP of 5.31, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 67744792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).