N-[5-(diethylamino)-6-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide

C26H36N4O3 — CID 4509165

IUPACN-[5-(diethylamino)-6-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
SMILESCCOc1ccc(C=NNC(=O)C(CCCCNC(=O)c2ccccc2)N(CC)CC)cc1
InChIInChI=1S/C26H36N4O3/c1-4-30(5-2)24(14-10-11-19-27-25(31)22-12-8-7-9-13-22)26(32)29-28-20-21-15-17-23(18-16-21)33-6-3/h7-9,12-13,15-18,20,24H,4-6,10-11,14,19H2,1-3H3,(H,27,31)(H,29,32)
InChIKeyMUHJAPWJCCSSLY-UHFFFAOYSA-N
MW452.60 g/mol
LogP3.85
Rot. Bonds14

About N-[5-(diethylamino)-6-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide

N-[5-(diethylamino)-6-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide (PubChem CID 4509165) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[5-(diethylamino)-6-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[5-(diethylamino)-6-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
PubChem CID4509165
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC NameN-[5-(diethylamino)-6-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
SMILESCCOc1ccc(C=NNC(=O)C(CCCCNC(=O)c2ccccc2)N(CC)CC)cc1
InChIInChI=1S/C26H36N4O3/c1-4-30(5-2)24(14-10-11-19-27-25(31)22-12-8-7-9-13-22)26(32)29-28-20-21-15-17-23(18-16-21)33-6-3/h7-9,12-13,15-18,20,24H,4-6,10-11,14,19H2,1-3H3,(H,27,31)(H,29,32)
InChIKeyMUHJAPWJCCSSLY-UHFFFAOYSA-N
XLogP3.85
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 53.85
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-[6-[(2E)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]hydrazinyl]-5-(diethylamino)-6-oxohexyl]benzamide
CID 6134083
4-butoxy-N-[2-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6006672
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 6241876
N-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 4509491
N-[3-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3254883
N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
CID 6164634
N-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 18869327
N-[(Z)-3-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide
CID 129437546
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
2-benzylsulfanyl-N-[(4-ethoxyphenyl)methylideneamino]propanamide
CID 3110478

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)-6-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
The IUPAC name of N-[5-(diethylamino)-6-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide (CID 4509165) is N-[5-(diethylamino)-6-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide.
What is the SMILES notation for N-[5-(diethylamino)-6-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
The canonical SMILES for N-[5-(diethylamino)-6-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide is CCOc1ccc(C=NNC(=O)C(CCCCNC(=O)c2ccccc2)N(CC)CC)cc1.
What is the InChIKey of N-[5-(diethylamino)-6-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
The InChIKey is MUHJAPWJCCSSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-4-30(5-2)24(14-10-11-19-27-25(31)22-12-8-7-9-13-22)26(32)29-28-20-21-15-17-23(18-16-21)33-6-3/h7-9,12-13,15-18,20,24H,4-6,10-11,14,19H2,1-3H3,(H,27,31)(H,29,32).
What are the key properties of N-[5-(diethylamino)-6-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
N-[5-(diethylamino)-6-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide has a molecular weight of 452.60 g/mol, XLogP of 3.85, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)-6-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide is sourced from PubChem (CID 4509165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).