N-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide

C27H36N4O4 — CID 4509491

IUPACN-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
SMILESCCOc1cc(C=NNC(=O)C(CCCCNC(=O)c2ccccc2)N2CCCCC2)ccc1O
InChIInChI=1S/C27H36N4O4/c1-2-35-25-19-21(14-15-24(25)32)20-29-30-27(34)23(31-17-9-4-10-18-31)13-7-8-16-28-26(33)22-11-5-3-6-12-22/h3,5-6,11-12,14-15,19-20,23,32H,2,4,7-10,13,16-18H2,1H3,(H,28,33)(H,30,34)
InChIKeyNCZWQAZESRJJTF-UHFFFAOYSA-N
MW480.61 g/mol
LogP3.70
Rot. Bonds12

About N-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide

N-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide (PubChem CID 4509491) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide.

Molecular Properties

Compound NameN-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
PubChem CID4509491
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC NameN-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
SMILESCCOc1cc(C=NNC(=O)C(CCCCNC(=O)c2ccccc2)N2CCCCC2)ccc1O
InChIInChI=1S/C27H36N4O4/c1-2-35-25-19-21(14-15-24(25)32)20-29-30-27(34)23(31-17-9-4-10-18-31)13-7-8-16-28-26(33)22-11-5-3-6-12-22/h3,5-6,11-12,14-15,19-20,23,32H,2,4,7-10,13,16-18H2,1H3,(H,28,33)(H,30,34)
InChIKeyNCZWQAZESRJJTF-UHFFFAOYSA-N
XLogP3.70
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

Analyze N-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 18869327
N-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide
CID 4509497
N-[6-[2-(furan-2-ylmethylidene)hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 4509498
N-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide
CID 4508547
N-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide
CID 4508719
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 3102347
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 135537540
N-[6-[2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 4509500
N-[5-(diethylamino)-6-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
CID 4509165
N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135613300
N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide
CID 135458926
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide?
The IUPAC name of N-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide (CID 4509491) is N-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide.
What is the SMILES notation for N-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide?
The canonical SMILES for N-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide is CCOc1cc(C=NNC(=O)C(CCCCNC(=O)c2ccccc2)N2CCCCC2)ccc1O.
What is the InChIKey of N-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide?
The InChIKey is NCZWQAZESRJJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-2-35-25-19-21(14-15-24(25)32)20-29-30-27(34)23(31-17-9-4-10-18-31)13-7-8-16-28-26(33)22-11-5-3-6-12-22/h3,5-6,11-12,14-15,19-20,23,32H,2,4,7-10,13,16-18H2,1H3,(H,28,33)(H,30,34).
What are the key properties of N-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide?
N-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide has a molecular weight of 480.61 g/mol, XLogP of 3.70, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide is sourced from PubChem (CID 4509491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).