[4-[[[3-(heptanoylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate

C24H29N3O5 — CID 6733357

IUPAC[4-[[[3-(heptanoylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
SMILESCCCCCCC(=O)Nc1cccc(C(=O)NN=Cc2ccc(OC(C)=O)c(OC)c2)c1
InChIInChI=1S/C24H29N3O5/c1-4-5-6-7-11-23(29)26-20-10-8-9-19(15-20)24(30)27-25-16-18-12-13-21(32-17(2)28)22(14-18)31-3/h8-10,12-16H,4-7,11H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyOOTUSOHMVAQXNX-UHFFFAOYSA-N
MW439.51 g/mol
LogP4.29
Rot. Bonds11

About [4-[[[3-(heptanoylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate

[4-[[[3-(heptanoylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate (PubChem CID 6733357) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is [4-[[[3-(heptanoylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[[[3-(heptanoylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
PubChem CID6733357
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name[4-[[[3-(heptanoylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
SMILESCCCCCCC(=O)Nc1cccc(C(=O)NN=Cc2ccc(OC(C)=O)c(OC)c2)c1
InChIInChI=1S/C24H29N3O5/c1-4-5-6-7-11-23(29)26-20-10-8-9-19(15-20)24(30)27-25-16-18-12-13-21(32-17(2)28)22(14-18)31-3/h8-10,12-16H,4-7,11H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyOOTUSOHMVAQXNX-UHFFFAOYSA-N
XLogP4.29
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(heptanoylamino)benzamide
CID 45109635
3-(heptanoylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 45109011
[4-[[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 715847
3-[(3-bromobenzoyl)amino]-N-[(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 171135912
3-(heptanoylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135414090
[4-[[[3-[(4-acetyloxy-3-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-nitrobenzoate
CID 126228073
3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6148632
N-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide
CID 4980442
N-[(E)-[3,5-bis(phenylmethoxy)phenyl]methylideneamino]-3-(heptanoylamino)benzamide
CID 45109580
[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 6323018
N'-[(4-butoxy-3-methoxyphenyl)methylideneamino]-N-(3-chlorophenyl)butanediamide
CID 4654054
[2-methoxy-4-[[[3-[(3-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 126231109

Frequently Asked Questions

What is the IUPAC name of [4-[[[3-(heptanoylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate?
The IUPAC name of [4-[[[3-(heptanoylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate (CID 6733357) is [4-[[[3-(heptanoylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-[[[3-(heptanoylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate?
The canonical SMILES for [4-[[[3-(heptanoylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate is CCCCCCC(=O)Nc1cccc(C(=O)NN=Cc2ccc(OC(C)=O)c(OC)c2)c1.
What is the InChIKey of [4-[[[3-(heptanoylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate?
The InChIKey is OOTUSOHMVAQXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-4-5-6-7-11-23(29)26-20-10-8-9-19(15-20)24(30)27-25-16-18-12-13-21(32-17(2)28)22(14-18)31-3/h8-10,12-16H,4-7,11H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of [4-[[[3-(heptanoylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate?
[4-[[[3-(heptanoylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate has a molecular weight of 439.51 g/mol, XLogP of 4.29, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[3-(heptanoylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 6733357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).