(2Z)-N-benzyl-8-methoxy-2-[(3-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide

C26H23N3O5 — CID 6024778

IUPAC(2Z)-N-benzyl-8-methoxy-2-[(3-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESCOc1cccc(C(=O)N/N=c2\oc3c(OC)cccc3cc2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H23N3O5/c1-32-20-12-6-11-19(14-20)24(30)28-29-26-21(25(31)27-16-17-8-4-3-5-9-17)15-18-10-7-13-22(33-2)23(18)34-26/h3-15H,16H2,1-2H3,(H,27,31)(H,28,30)/b29-26-
InChIKeyRAJJYBOOYNQNRN-WCTVFOPTSA-N
MW457.49 g/mol
LogP3.63
Rot. Bonds7

About (2Z)-N-benzyl-8-methoxy-2-[(3-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide

(2Z)-N-benzyl-8-methoxy-2-[(3-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide (PubChem CID 6024778) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is (2Z)-N-benzyl-8-methoxy-2-[(3-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide.

Molecular Properties

Compound Name(2Z)-N-benzyl-8-methoxy-2-[(3-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
PubChem CID6024778
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC Name(2Z)-N-benzyl-8-methoxy-2-[(3-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESCOc1cccc(C(=O)N/N=c2\oc3c(OC)cccc3cc2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H23N3O5/c1-32-20-12-6-11-19(14-20)24(30)28-29-26-21(25(31)27-16-17-8-4-3-5-9-17)15-18-10-7-13-22(33-2)23(18)34-26/h3-15H,16H2,1-2H3,(H,27,31)(H,28,30)/b29-26-
InChIKeyRAJJYBOOYNQNRN-WCTVFOPTSA-N
XLogP3.63
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-imino-8-methoxy-N-(4-methylbenzyl)-2H-chromene-3-carboxamide
CID 19574051
3-ethoxy-N'-[(E)-(4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide
CID 25237164
7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1(2H)-one
CID 661377
Dibenzo(b,e)(1,4)dioxin-1-carboxamide, N-(2-(dimethylamino)ethyl)-
CID 154064
2-Benzyl-7,8-dimethoxyphthalazin-1-one
CID 659546
8-methoxy-N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide
CID 1478794
2-[2-(2-ethoxyphenoxy)ethyl]-7,8-dimethoxyphthalazin-1(2H)-one
CID 1829152
(2E)-2-(benzoylhydrazono)-8-methoxy-2H-chromene-3-carboxamide
CID 5977763
(2Z)-N-benzyl-2-[(4-methoxybenzoyl)hydrazono]-2H-chromene-3-carboxamide
CID 6024801
N-[2-(dimethylamino)ethyl]-9-methyldibenzo-p-dioxin-1-carboxamide
CID 11638189
1-N,9-N-bis[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1,9-dicarboxamide
CID 15728269
3-methoxy-2-phenoxy-N-(2-phenoxyethyl)benzamide
CID 44535839

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-benzyl-8-methoxy-2-[(3-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide?
The IUPAC name of (2Z)-N-benzyl-8-methoxy-2-[(3-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide (CID 6024778) is (2Z)-N-benzyl-8-methoxy-2-[(3-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide.
What is the SMILES notation for (2Z)-N-benzyl-8-methoxy-2-[(3-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide?
The canonical SMILES for (2Z)-N-benzyl-8-methoxy-2-[(3-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide is COc1cccc(C(=O)N/N=c2\oc3c(OC)cccc3cc2C(=O)NCc2ccccc2)c1.
What is the InChIKey of (2Z)-N-benzyl-8-methoxy-2-[(3-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide?
The InChIKey is RAJJYBOOYNQNRN-WCTVFOPTSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-32-20-12-6-11-19(14-20)24(30)28-29-26-21(25(31)27-16-17-8-4-3-5-9-17)15-18-10-7-13-22(33-2)23(18)34-26/h3-15H,16H2,1-2H3,(H,27,31)(H,28,30)/b29-26-.
What are the key properties of (2Z)-N-benzyl-8-methoxy-2-[(3-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide?
(2Z)-N-benzyl-8-methoxy-2-[(3-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-benzyl-8-methoxy-2-[(3-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide is sourced from PubChem (CID 6024778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).