[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate

C20H24N2O8 — CID 122366886

IUPAC[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCC(O)C(O)COC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24N2O8/c1-27-15-7-3-13(4-8-15)21-19(25)29-11-17(23)18(24)12-30-20(26)22-14-5-9-16(28-2)10-6-14/h3-10,17-18,23-24H,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyOIBDLJQWENDQDE-UHFFFAOYSA-N
MW420.42 g/mol
LogP2.22
Rot. Bonds9

About [2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate

[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate (PubChem CID 122366886) has the molecular formula C20H24N2O8 and a molecular weight of 420.42 g/mol. Its IUPAC name is [2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate
PubChem CID122366886
Molecular FormulaC20H24N2O8
Molecular Weight420.42 g/mol
Exact Mass420.15
IUPAC Name[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCC(O)C(O)COC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24N2O8/c1-27-15-7-3-13(4-8-15)21-19(25)29-11-17(23)18(24)12-30-20(26)22-14-5-9-16(28-2)10-6-14/h3-10,17-18,23-24H,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyOIBDLJQWENDQDE-UHFFFAOYSA-N
XLogP2.22
TPSA135.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze [2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)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

2,3-dimethylpentyl N-(4-methoxyphenyl)carbamate
CID 155404047
2-chloroethyl N-(4-methoxyphenyl)carbamate
CID 4190237
2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate
CID 59019482
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
1,3-bis(4-methoxyphenyl)urea
CID 139045428
(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
propan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate
CID 4268048
2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate
CID 134090517
(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate
CID 79337138
3-phenylpropyl N-(4-methoxyphenyl)carbamate
CID 102129676

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate?
The IUPAC name of [2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate (CID 122366886) is [2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for [2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate?
The canonical SMILES for [2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)OCC(O)C(O)COC(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of [2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate?
The InChIKey is OIBDLJQWENDQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O8/c1-27-15-7-3-13(4-8-15)21-19(25)29-11-17(23)18(24)12-30-20(26)22-14-5-9-16(28-2)10-6-14/h3-10,17-18,23-24H,11-12H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of [2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate?
[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate has a molecular weight of 420.42 g/mol, XLogP of 2.22, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 122366886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).