2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate

C22H26N4O7 — CID 59430320

IUPAC2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cc(-c2n[nH]nc2-c2cc(OC)c(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C22H26N4O7/c1-28-8-9-33-22(27)23-15-10-13(6-7-16(15)29-2)19-20(25-26-24-19)14-11-17(30-3)21(32-5)18(12-14)31-4/h6-7,10-12H,8-9H2,1-5H3,(H,23,27)(H,24,25,26)
InChIKeyVZXRAMUBXLSQOK-UHFFFAOYSA-N
MW458.47 g/mol
LogP3.37
Rot. Bonds10

About 2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate

2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate (PubChem CID 59430320) has the molecular formula C22H26N4O7 and a molecular weight of 458.47 g/mol. Its IUPAC name is 2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate
PubChem CID59430320
Molecular FormulaC22H26N4O7
Molecular Weight458.47 g/mol
Exact Mass458.18
IUPAC Name2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cc(-c2n[nH]nc2-c2cc(OC)c(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C22H26N4O7/c1-28-8-9-33-22(27)23-15-10-13(6-7-16(15)29-2)19-20(25-26-24-19)14-11-17(30-3)21(32-5)18(12-14)31-4/h6-7,10-12H,8-9H2,1-5H3,(H,23,27)(H,24,25,26)
InChIKeyVZXRAMUBXLSQOK-UHFFFAOYSA-N
XLogP3.37
TPSA126.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate with MolForge

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Related Compounds

[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 87103618
[5-amino-1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium
CID 59430131
N-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide
CID 59430200
2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]-4-methylsulfanylbutanamide
CID 59430336
(2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]-3-phenylpropanamide
CID 71218535
2-amino-3-(4-hydroxyphenyl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]propanamide
CID 59430137
[3-(4-hydroxyphenyl)-1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-1-oxopropan-2-yl]azanium
CID 59430136
1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone
CID 59430178
4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430230
sodium 4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenolate
CID 66678861
4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]pyridine
CID 54612886
methoxy-[3-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamic acid
CID 87507855

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate (CID 59430320) is 2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate is COCCOC(=O)Nc1cc(-c2n[nH]nc2-c2cc(OC)c(OC)c(OC)c2)ccc1OC.
What is the InChIKey of 2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate?
The InChIKey is VZXRAMUBXLSQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O7/c1-28-8-9-33-22(27)23-15-10-13(6-7-16(15)29-2)19-20(25-26-24-19)14-11-17(30-3)21(32-5)18(12-14)31-4/h6-7,10-12H,8-9H2,1-5H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate?
2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate has a molecular weight of 458.47 g/mol, XLogP of 3.37, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate is sourced from PubChem (CID 59430320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).