N,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide

C27H36N4O8 — CID 6113773

IUPACN,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide
SMILESCOc1cc(/C=N\NC(=O)CCCCCC(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C27H36N4O8/c1-34-20-12-18(13-21(35-2)26(20)38-5)16-28-30-24(32)10-8-7-9-11-25(33)31-29-17-19-14-22(36-3)27(39-6)23(15-19)37-4/h12-17H,7-11H2,1-6H3,(H,30,32)(H,31,33)/b28-16-,29-17-
InChIKeyMAAVAHOGYPTIKK-QRMZFMMFSA-N
MW544.61 g/mol
LogP3.29
Rot. Bonds16

About N,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide

N,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide (PubChem CID 6113773) has the molecular formula C27H36N4O8 and a molecular weight of 544.61 g/mol. Its IUPAC name is N,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide
PubChem CID6113773
Molecular FormulaC27H36N4O8
Molecular Weight544.61 g/mol
Exact Mass544.25
IUPAC NameN,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide
SMILESCOc1cc(/C=N\NC(=O)CCCCCC(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C27H36N4O8/c1-34-20-12-18(13-21(35-2)26(20)38-5)16-28-30-24(32)10-8-7-9-11-25(33)31-29-17-19-14-22(36-3)27(39-6)23(15-19)37-4/h12-17H,7-11H2,1-6H3,(H,30,32)(H,31,33)/b28-16-,29-17-
InChIKeyMAAVAHOGYPTIKK-QRMZFMMFSA-N
XLogP3.29
TPSA138.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.61
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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'}

Analyze N,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide 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-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]nonanediamide
CID 98542039
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]hexanediamide
CID 6152520
N-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]decanamide
CID 4207066
1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 92856854
N,N'-bis[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]decanediamide
CID 4631848
N,N'-bis[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]decanediamide
CID 135607142
N-(4-bromophenyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]butanediamide
CID 6144716
N-benzyl-N'-[(3,4,5-trimethoxyphenyl)methylideneamino]butanediamide
CID 3813231
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]undecanamide
CID 135684513
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]dodecanamide
CID 4163229
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide
CID 135717310

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide?
The IUPAC name of N,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide (CID 6113773) is N,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide.
What is the SMILES notation for N,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide?
The canonical SMILES for N,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide is COc1cc(/C=N\NC(=O)CCCCCC(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of N,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide?
The InChIKey is MAAVAHOGYPTIKK-QRMZFMMFSA-N. The full InChI is InChI=1S/C27H36N4O8/c1-34-20-12-18(13-21(35-2)26(20)38-5)16-28-30-24(32)10-8-7-9-11-25(33)31-29-17-19-14-22(36-3)27(39-6)23(15-19)37-4/h12-17H,7-11H2,1-6H3,(H,30,32)(H,31,33)/b28-16-,29-17-.
What are the key properties of N,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide?
N,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide has a molecular weight of 544.61 g/mol, XLogP of 3.29, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide is sourced from PubChem (CID 6113773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).