N'-[4-(methoxymethoxy)-3-nitrobenzoyl]-3-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]furan-2-carbohydrazide

C24H23N3O9 — CID 88986085

IUPACN'-[4-(methoxymethoxy)-3-nitrobenzoyl]-3-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]furan-2-carbohydrazide
SMILESCOCOc1ccc(C(=O)NNC(=O)c2occc2-c2ccc(C3(C)OCCO3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C24H23N3O9/c1-24(35-11-12-36-24)17-6-3-15(4-7-17)18-9-10-33-21(18)23(29)26-25-22(28)16-5-8-20(34-14-32-2)19(13-16)27(30)31/h3-10,13H,11-12,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyLBQNGVRJRKBQQZ-UHFFFAOYSA-N
MW497.46 g/mol
LogP3.13
Rot. Bonds8

About N'-[4-(methoxymethoxy)-3-nitrobenzoyl]-3-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]furan-2-carbohydrazide

N'-[4-(methoxymethoxy)-3-nitrobenzoyl]-3-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]furan-2-carbohydrazide (PubChem CID 88986085) has the molecular formula C24H23N3O9 and a molecular weight of 497.46 g/mol. Its IUPAC name is N'-[4-(methoxymethoxy)-3-nitrobenzoyl]-3-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(methoxymethoxy)-3-nitrobenzoyl]-3-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]furan-2-carbohydrazide
PubChem CID88986085
Molecular FormulaC24H23N3O9
Molecular Weight497.46 g/mol
Exact Mass497.14
IUPAC NameN'-[4-(methoxymethoxy)-3-nitrobenzoyl]-3-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]furan-2-carbohydrazide
SMILESCOCOc1ccc(C(=O)NNC(=O)c2occc2-c2ccc(C3(C)OCCO3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C24H23N3O9/c1-24(35-11-12-36-24)17-6-3-15(4-7-17)18-9-10-33-21(18)23(29)26-25-22(28)16-5-8-20(34-14-32-2)19(13-16)27(30)31/h3-10,13H,11-12,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyLBQNGVRJRKBQQZ-UHFFFAOYSA-N
XLogP3.13
TPSA151.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-hydroxy-3-nitrobenzoyl)-3-[4-[(4-methylphenoxy)methyl]phenyl]furan-2-carbohydrazide
CID 70805956
N'-(3,4-dimethoxybenzoyl)-3-phenylfuran-2-carbohydrazide
CID 34977030
N'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide
CID 11677505
3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide
CID 152628740
N'-(4-hydroxy-3-nitrobenzoyl)-3-(3-propan-2-ylphenyl)furan-2-carbohydrazide
CID 11690043
N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
4-ethoxy-N-(3-methoxypropyl)-3-nitrobenzamide
CID 39752649
4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
CID 9392138
methyl (E)-3-[4-(methoxymethoxy)-3-nitrophenyl]prop-2-enoate
CID 19801836
N'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide
CID 11539382
methyl 3-nitro-4-(trimethylsilylmethoxy)benzoate
CID 56529289

Frequently Asked Questions

What is the IUPAC name of N'-[4-(methoxymethoxy)-3-nitrobenzoyl]-3-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]furan-2-carbohydrazide?
The IUPAC name of N'-[4-(methoxymethoxy)-3-nitrobenzoyl]-3-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]furan-2-carbohydrazide (CID 88986085) is N'-[4-(methoxymethoxy)-3-nitrobenzoyl]-3-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[4-(methoxymethoxy)-3-nitrobenzoyl]-3-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[4-(methoxymethoxy)-3-nitrobenzoyl]-3-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]furan-2-carbohydrazide is COCOc1ccc(C(=O)NNC(=O)c2occc2-c2ccc(C3(C)OCCO3)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N'-[4-(methoxymethoxy)-3-nitrobenzoyl]-3-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]furan-2-carbohydrazide?
The InChIKey is LBQNGVRJRKBQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O9/c1-24(35-11-12-36-24)17-6-3-15(4-7-17)18-9-10-33-21(18)23(29)26-25-22(28)16-5-8-20(34-14-32-2)19(13-16)27(30)31/h3-10,13H,11-12,14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N'-[4-(methoxymethoxy)-3-nitrobenzoyl]-3-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]furan-2-carbohydrazide?
N'-[4-(methoxymethoxy)-3-nitrobenzoyl]-3-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]furan-2-carbohydrazide has a molecular weight of 497.46 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(methoxymethoxy)-3-nitrobenzoyl]-3-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]furan-2-carbohydrazide is sourced from PubChem (CID 88986085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).