N,N'-bis[(E)-(3,5-dimethoxyphenyl)methylideneamino]-3-oxopentanediamide

C23H26N4O7 — CID 44621401

IUPACN,N'-bis[(E)-(3,5-dimethoxyphenyl)methylideneamino]-3-oxopentanediamide
SMILESCOc1cc(/C=N/NC(=O)CC(=O)CC(=O)N/N=C/c2cc(OC)cc(OC)c2)cc(OC)c1
InChIInChI=1S/C23H26N4O7/c1-31-18-5-15(6-19(11-18)32-2)13-24-26-22(29)9-17(28)10-23(30)27-25-14-16-7-20(33-3)12-21(8-16)34-4/h5-8,11-14H,9-10H2,1-4H3,(H,26,29)(H,27,30)/b24-13+,25-14+
InChIKeyVAZVOUFZKPCPLQ-GUJRAXHGSA-N
MW470.48 g/mol
LogP1.67
Rot. Bonds12

About N,N'-bis[(E)-(3,5-dimethoxyphenyl)methylideneamino]-3-oxopentanediamide

N,N'-bis[(E)-(3,5-dimethoxyphenyl)methylideneamino]-3-oxopentanediamide (PubChem CID 44621401) has the molecular formula C23H26N4O7 and a molecular weight of 470.48 g/mol. Its IUPAC name is N,N'-bis[(E)-(3,5-dimethoxyphenyl)methylideneamino]-3-oxopentanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(3,5-dimethoxyphenyl)methylideneamino]-3-oxopentanediamide
PubChem CID44621401
Molecular FormulaC23H26N4O7
Molecular Weight470.48 g/mol
Exact Mass470.18
IUPAC NameN,N'-bis[(E)-(3,5-dimethoxyphenyl)methylideneamino]-3-oxopentanediamide
SMILESCOc1cc(/C=N/NC(=O)CC(=O)CC(=O)N/N=C/c2cc(OC)cc(OC)c2)cc(OC)c1
InChIInChI=1S/C23H26N4O7/c1-31-18-5-15(6-19(11-18)32-2)13-24-26-22(29)9-17(28)10-23(30)27-25-14-16-7-20(33-3)12-21(8-16)34-4/h5-8,11-14H,9-10H2,1-4H3,(H,26,29)(H,27,30)/b24-13+,25-14+
InChIKeyVAZVOUFZKPCPLQ-GUJRAXHGSA-N
XLogP1.67
TPSA136.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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-[(3,5-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4236788
ethyl N-[(3,5-dimethoxyphenyl)methylideneamino]carbamate
CID 2643044
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4843582
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 9316720
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 2641916
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-[(Z)-[(4-methoxyphenyl)-(methylideneamino)methylidene]amino]oxyacetamide
CID 167451082
1-[(3,5-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
CID 3582304
4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 7414381
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 90486783
3,5-dimethoxy-N-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 4692929

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(3,5-dimethoxyphenyl)methylideneamino]-3-oxopentanediamide?
The IUPAC name of N,N'-bis[(E)-(3,5-dimethoxyphenyl)methylideneamino]-3-oxopentanediamide (CID 44621401) is N,N'-bis[(E)-(3,5-dimethoxyphenyl)methylideneamino]-3-oxopentanediamide.
What is the SMILES notation for N,N'-bis[(E)-(3,5-dimethoxyphenyl)methylideneamino]-3-oxopentanediamide?
The canonical SMILES for N,N'-bis[(E)-(3,5-dimethoxyphenyl)methylideneamino]-3-oxopentanediamide is COc1cc(/C=N/NC(=O)CC(=O)CC(=O)N/N=C/c2cc(OC)cc(OC)c2)cc(OC)c1.
What is the InChIKey of N,N'-bis[(E)-(3,5-dimethoxyphenyl)methylideneamino]-3-oxopentanediamide?
The InChIKey is VAZVOUFZKPCPLQ-GUJRAXHGSA-N. The full InChI is InChI=1S/C23H26N4O7/c1-31-18-5-15(6-19(11-18)32-2)13-24-26-22(29)9-17(28)10-23(30)27-25-14-16-7-20(33-3)12-21(8-16)34-4/h5-8,11-14H,9-10H2,1-4H3,(H,26,29)(H,27,30)/b24-13+,25-14+.
What are the key properties of N,N'-bis[(E)-(3,5-dimethoxyphenyl)methylideneamino]-3-oxopentanediamide?
N,N'-bis[(E)-(3,5-dimethoxyphenyl)methylideneamino]-3-oxopentanediamide has a molecular weight of 470.48 g/mol, XLogP of 1.67, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(3,5-dimethoxyphenyl)methylideneamino]-3-oxopentanediamide is sourced from PubChem (CID 44621401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).