[1-methoxy-3-(4-methoxy-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)-1,3-dioxopropan-2-yl]azaniumylideneazanide

C18H25N3O6 — CID 10068273

IUPAC[1-methoxy-3-(4-methoxy-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)-1,3-dioxopropan-2-yl]azaniumylideneazanide
SMILESCOC(=O)C([NH+]=[N-])C(=O)N(CCC(=O)OC(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C18H25N3O6/c1-18(2,3)27-14(22)10-11-21(12-6-8-13(25-4)9-7-12)16(23)15(20-19)17(24)26-5/h6-9,15,20H,10-11H2,1-5H3
InChIKeyFMWYNSKBCPDRKT-UHFFFAOYSA-N
MW379.41 g/mol
LogP0.40
Rot. Bonds8

About [1-methoxy-3-(4-methoxy-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)-1,3-dioxopropan-2-yl]azaniumylideneazanide

[1-methoxy-3-(4-methoxy-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)-1,3-dioxopropan-2-yl]azaniumylideneazanide (PubChem CID 10068273) has the molecular formula C18H25N3O6 and a molecular weight of 379.41 g/mol. Its IUPAC name is [1-methoxy-3-(4-methoxy-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)-1,3-dioxopropan-2-yl]azaniumylideneazanide.

Molecular Properties

Compound Name[1-methoxy-3-(4-methoxy-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)-1,3-dioxopropan-2-yl]azaniumylideneazanide
PubChem CID10068273
Molecular FormulaC18H25N3O6
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Name[1-methoxy-3-(4-methoxy-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)-1,3-dioxopropan-2-yl]azaniumylideneazanide
SMILESCOC(=O)C([NH+]=[N-])C(=O)N(CCC(=O)OC(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C18H25N3O6/c1-18(2,3)27-14(22)10-11-21(12-6-8-13(25-4)9-7-12)16(23)15(20-19)17(24)26-5/h6-9,15,20H,10-11H2,1-5H3
InChIKeyFMWYNSKBCPDRKT-UHFFFAOYSA-N
XLogP0.40
TPSA118.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze [1-methoxy-3-(4-methoxy-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)-1,3-dioxopropan-2-yl]azaniumylideneazanide 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

tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
3-(N-carbamothioyl-4-methoxyanilino)propanoic acid
CID 119090131
tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate
CID 118576936
[1-methoxy-3-[4-methoxy-N-(2-phenylethyl)anilino]-1,3-dioxopropan-2-yl]iminoazanide
CID 10021089
tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate
CID 11680858
methyl 3-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-phenylethoxy)anilino]propanoate
CID 142651252
tert-butyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840712
tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840713
N-(4-methoxyphenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605370
tert-butyl 2-[(4-methoxybenzoyl)amino]acetate
CID 135045716
methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate
CID 10737969
tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate
CID 101207384

Frequently Asked Questions

What is the IUPAC name of [1-methoxy-3-(4-methoxy-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)-1,3-dioxopropan-2-yl]azaniumylideneazanide?
The IUPAC name of [1-methoxy-3-(4-methoxy-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)-1,3-dioxopropan-2-yl]azaniumylideneazanide (CID 10068273) is [1-methoxy-3-(4-methoxy-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)-1,3-dioxopropan-2-yl]azaniumylideneazanide.
What is the SMILES notation for [1-methoxy-3-(4-methoxy-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)-1,3-dioxopropan-2-yl]azaniumylideneazanide?
The canonical SMILES for [1-methoxy-3-(4-methoxy-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)-1,3-dioxopropan-2-yl]azaniumylideneazanide is COC(=O)C([NH+]=[N-])C(=O)N(CCC(=O)OC(C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of [1-methoxy-3-(4-methoxy-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)-1,3-dioxopropan-2-yl]azaniumylideneazanide?
The InChIKey is FMWYNSKBCPDRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O6/c1-18(2,3)27-14(22)10-11-21(12-6-8-13(25-4)9-7-12)16(23)15(20-19)17(24)26-5/h6-9,15,20H,10-11H2,1-5H3.
What are the key properties of [1-methoxy-3-(4-methoxy-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)-1,3-dioxopropan-2-yl]azaniumylideneazanide?
[1-methoxy-3-(4-methoxy-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)-1,3-dioxopropan-2-yl]azaniumylideneazanide has a molecular weight of 379.41 g/mol, XLogP of 0.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-3-(4-methoxy-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)-1,3-dioxopropan-2-yl]azaniumylideneazanide is sourced from PubChem (CID 10068273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).