3,4,5-triethoxy-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]benzamide

C20H28N4O4 — CID 5431522

IUPAC3,4,5-triethoxy-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]benzamide
SMILESCCOc1cc(C(=O)N/N=C\c2cn(CC)nc2C)cc(OCC)c1OCC
InChIInChI=1S/C20H28N4O4/c1-6-24-13-16(14(5)23-24)12-21-22-20(25)15-10-17(26-7-2)19(28-9-4)18(11-15)27-8-3/h10-13H,6-9H2,1-5H3,(H,22,25)/b21-12-
InChIKeyCSWZGAHLPDZNMF-MTJSOVHGSA-N
MW388.47 g/mol
LogP3.17
Rot. Bonds10

About 3,4,5-triethoxy-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]benzamide

3,4,5-triethoxy-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]benzamide (PubChem CID 5431522) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]benzamide
PubChem CID5431522
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name3,4,5-triethoxy-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]benzamide
SMILESCCOc1cc(C(=O)N/N=C\c2cn(CC)nc2C)cc(OCC)c1OCC
InChIInChI=1S/C20H28N4O4/c1-6-24-13-16(14(5)23-24)12-21-22-20(25)15-10-17(26-7-2)19(28-9-4)18(11-15)27-8-3/h10-13H,6-9H2,1-5H3,(H,22,25)/b21-12-
InChIKeyCSWZGAHLPDZNMF-MTJSOVHGSA-N
XLogP3.17
TPSA86.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 5412249
N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide
CID 3460491
3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 6031116
3-chloro-6-ethyl-N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 6873578
N-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylideneamino]-3,4,5-triethoxybenzamide
CID 3996341
(2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide
CID 5433457
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
3,4,5-triethoxy-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 41082821
N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide
CID 4570338
N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 110514737
3,4-dichloro-N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 6874750

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]benzamide (CID 5431522) is 3,4,5-triethoxy-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]benzamide is CCOc1cc(C(=O)N/N=C\c2cn(CC)nc2C)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]benzamide?
The InChIKey is CSWZGAHLPDZNMF-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-6-24-13-16(14(5)23-24)12-21-22-20(25)15-10-17(26-7-2)19(28-9-4)18(11-15)27-8-3/h10-13H,6-9H2,1-5H3,(H,22,25)/b21-12-.
What are the key properties of 3,4,5-triethoxy-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]benzamide?
3,4,5-triethoxy-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]benzamide has a molecular weight of 388.47 g/mol, XLogP of 3.17, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]benzamide is sourced from PubChem (CID 5431522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).