(4-methoxyphenyl)methyl N-(4-hydroxy-2,3-dimethylphenyl)carbamate

C17H19NO4 — CID 22599963

IUPAC(4-methoxyphenyl)methyl N-(4-hydroxy-2,3-dimethylphenyl)carbamate
SMILESCOc1ccc(COC(=O)Nc2ccc(O)c(C)c2C)cc1
InChIInChI=1S/C17H19NO4/c1-11-12(2)16(19)9-8-15(11)18-17(20)22-10-13-4-6-14(21-3)7-5-13/h4-9,19H,10H2,1-3H3,(H,18,20)
InChIKeyFGVPJIKLPWIYJI-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.77
Rot. Bonds4

About (4-methoxyphenyl)methyl N-(4-hydroxy-2,3-dimethylphenyl)carbamate

(4-methoxyphenyl)methyl N-(4-hydroxy-2,3-dimethylphenyl)carbamate (PubChem CID 22599963) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-(4-hydroxy-2,3-dimethylphenyl)carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-(4-hydroxy-2,3-dimethylphenyl)carbamate
PubChem CID22599963
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name(4-methoxyphenyl)methyl N-(4-hydroxy-2,3-dimethylphenyl)carbamate
SMILESCOc1ccc(COC(=O)Nc2ccc(O)c(C)c2C)cc1
InChIInChI=1S/C17H19NO4/c1-11-12(2)16(19)9-8-15(11)18-17(20)22-10-13-4-6-14(21-3)7-5-13/h4-9,19H,10H2,1-3H3,(H,18,20)
InChIKeyFGVPJIKLPWIYJI-UHFFFAOYSA-N
XLogP3.77
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-methoxyphenyl)methyl N-(4-hydroxy-2,3-dimethylphenyl)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

(4-methoxyphenyl)methyl N-(2-pyridin-2-ylphenyl)carbamate
CID 102223125
N-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 154796139
N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide
CID 891449
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
(4-methoxyphenyl)methyl silylformate
CID 123289214
benzyl N-(3-methoxynaphthalen-1-yl)carbamate
CID 23023062
(4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
CID 127523781
(4-methoxyphenyl)methyl N-[4-[(4-methoxyphenyl)methoxycarbonylamino]-2-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)phenyl]carbamate
CID 139605527
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184
2-hydroxy-3-[(4-methylphenyl)methoxycarbonylamino]benzoic acid
CID 19000800

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-(4-hydroxy-2,3-dimethylphenyl)carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-(4-hydroxy-2,3-dimethylphenyl)carbamate (CID 22599963) is (4-methoxyphenyl)methyl N-(4-hydroxy-2,3-dimethylphenyl)carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-(4-hydroxy-2,3-dimethylphenyl)carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-(4-hydroxy-2,3-dimethylphenyl)carbamate is COc1ccc(COC(=O)Nc2ccc(O)c(C)c2C)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-(4-hydroxy-2,3-dimethylphenyl)carbamate?
The InChIKey is FGVPJIKLPWIYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-11-12(2)16(19)9-8-15(11)18-17(20)22-10-13-4-6-14(21-3)7-5-13/h4-9,19H,10H2,1-3H3,(H,18,20).
What are the key properties of (4-methoxyphenyl)methyl N-(4-hydroxy-2,3-dimethylphenyl)carbamate?
(4-methoxyphenyl)methyl N-(4-hydroxy-2,3-dimethylphenyl)carbamate has a molecular weight of 301.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-(4-hydroxy-2,3-dimethylphenyl)carbamate is sourced from PubChem (CID 22599963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).