methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate

C17H20N2O5 — CID 112989491

IUPACmethyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C17H20N2O5/c1-21-14-9-13(10-15(22-2)16(14)23-3)18-11-5-7-12(8-6-11)19-17(20)24-4/h5-10,18H,1-4H3,(H,19,20)
InChIKeyHIALUAWHTSBKDN-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.63
Rot. Bonds6

About methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate

methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate (PubChem CID 112989491) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate
PubChem CID112989491
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Namemethyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C17H20N2O5/c1-21-14-9-13(10-15(22-2)16(14)23-3)18-11-5-7-12(8-6-11)19-17(20)24-4/h5-10,18H,1-4H3,(H,19,20)
InChIKeyHIALUAWHTSBKDN-UHFFFAOYSA-N
XLogP3.63
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate 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

N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide
CID 112989467
N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide
CID 112989494
N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide
CID 24879331
N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987472
methyl N-[4-[[[N'-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]amino]methyl]phenyl]carbamate;hydroiodide
CID 111376149
N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109219259
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide
CID 113036500
3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985955
tert-butyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate
CID 112987219
2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate
CID 79346258
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109265747

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate?
The IUPAC name of methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate (CID 112989491) is methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate is COC(=O)Nc1ccc(Nc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate?
The InChIKey is HIALUAWHTSBKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-21-14-9-13(10-15(22-2)16(14)23-3)18-11-5-7-12(8-6-11)19-17(20)24-4/h5-10,18H,1-4H3,(H,19,20).
What are the key properties of methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate?
methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate has a molecular weight of 332.36 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate is sourced from PubChem (CID 112989491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).