methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate

C10H14N2O4 — CID 43551388

IUPACmethyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
SMILESCOC(=O)Nc1cc(OC)c(OC)cc1N
InChIInChI=1S/C10H14N2O4/c1-14-8-4-6(11)7(5-9(8)15-2)12-10(13)16-3/h4-5H,11H2,1-3H3,(H,12,13)
InChIKeyDPACJIVDTAASJA-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.46
Rot. Bonds3

About methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate

methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate (PubChem CID 43551388) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
PubChem CID43551388
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
SMILESCOC(=O)Nc1cc(OC)c(OC)cc1N
InChIInChI=1S/C10H14N2O4/c1-14-8-4-6(11)7(5-9(8)15-2)12-10(13)16-3/h4-5H,11H2,1-3H3,(H,12,13)
InChIKeyDPACJIVDTAASJA-UHFFFAOYSA-N
XLogP1.46
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl N-(2-amino-4,5-dimethoxyphenyl)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

methyl N-(2,4,5-trimethoxyphenyl)carbamate
CID 115190416
N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide
CID 43549148
N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide
CID 28866736
N-(2-amino-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 28867945
2-(2-amino-4,5-dimethoxyanilino)acetamide
CID 83001750
methyl 2-(2-amino-4,5-dimethoxyanilino)acetate
CID 83001432
N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide
CID 43549160
N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide
CID 79802132
N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 43549139
methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate
CID 110459513
2-(2-amino-4,5-dimethoxyanilino)propanamide
CID 83001358
N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide
CID 43549154

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate?
The IUPAC name of methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate (CID 43551388) is methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate.
What is the SMILES notation for methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate?
The canonical SMILES for methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate is COC(=O)Nc1cc(OC)c(OC)cc1N.
What is the InChIKey of methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate?
The InChIKey is DPACJIVDTAASJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-14-8-4-6(11)7(5-9(8)15-2)12-10(13)16-3/h4-5H,11H2,1-3H3,(H,12,13).
What are the key properties of methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate?
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate has a molecular weight of 226.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate is sourced from PubChem (CID 43551388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).