2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]carbamate

C16H23BrN2O5 — CID 168944731

IUPAC2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]carbamate
SMILESCOc1cc(Br)c(O)cc1CCNC(=O)OCCN1CCOCC1
InChIInChI=1S/C16H23BrN2O5/c1-22-15-11-13(17)14(20)10-12(15)2-3-18-16(21)24-9-6-19-4-7-23-8-5-19/h10-11,20H,2-9H2,1H3,(H,18,21)
InChIKeyNIUULDFHIIJYTN-UHFFFAOYSA-N
MW403.27 g/mol
LogP1.76
Rot. Bonds7

About 2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]carbamate

2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]carbamate (PubChem CID 168944731) has the molecular formula C16H23BrN2O5 and a molecular weight of 403.27 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]carbamate
PubChem CID168944731
Molecular FormulaC16H23BrN2O5
Molecular Weight403.27 g/mol
Exact Mass402.08
IUPAC Name2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]carbamate
SMILESCOc1cc(Br)c(O)cc1CCNC(=O)OCCN1CCOCC1
InChIInChI=1S/C16H23BrN2O5/c1-22-15-11-13(17)14(20)10-12(15)2-3-18-16(21)24-9-6-19-4-7-23-8-5-19/h10-11,20H,2-9H2,1H3,(H,18,21)
InChIKeyNIUULDFHIIJYTN-UHFFFAOYSA-N
XLogP1.76
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]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-(6-oxa-1-azaspiro[3.3]heptan-1-yl)ethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate
CID 168944996
propyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate
CID 168944771
ethylcarbamoyloxymethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate
CID 168944840
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
2-morpholin-4-ylethyl N-(2-methoxyphenyl)carbamate
CID 3087022
2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111098935
4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide
CID 55742240
1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217074
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973605
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806
2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
CID 61321668
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]carbamate?
The IUPAC name of 2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]carbamate (CID 168944731) is 2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for 2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for 2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]carbamate is COc1cc(Br)c(O)cc1CCNC(=O)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]carbamate?
The InChIKey is NIUULDFHIIJYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O5/c1-22-15-11-13(17)14(20)10-12(15)2-3-18-16(21)24-9-6-19-4-7-23-8-5-19/h10-11,20H,2-9H2,1H3,(H,18,21).
What are the key properties of 2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]carbamate?
2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]carbamate has a molecular weight of 403.27 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 168944731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).