ethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate

C20H23ClN2O6 — CID 110179148

IUPACethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1cc(C)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C20H23ClN2O6/c1-6-29-20(25)23-15-7-11(2)14(10-13(15)21)22-19(24)12-8-16(26-3)18(28-5)17(9-12)27-4/h7-10H,6H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyJGBPUMAOYLLEOL-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.49
Rot. Bonds7

About ethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate

ethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate (PubChem CID 110179148) has the molecular formula C20H23ClN2O6 and a molecular weight of 422.87 g/mol. Its IUPAC name is ethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate
PubChem CID110179148
Molecular FormulaC20H23ClN2O6
Molecular Weight422.87 g/mol
Exact Mass422.12
IUPAC Nameethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1cc(C)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C20H23ClN2O6/c1-6-29-20(25)23-15-7-11(2)14(10-13(15)21)22-19(24)12-8-16(26-3)18(28-5)17(9-12)27-4/h7-10H,6H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyJGBPUMAOYLLEOL-UHFFFAOYSA-N
XLogP4.49
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate?
The IUPAC name of ethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate (CID 110179148) is ethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate is CCOC(=O)Nc1cc(C)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl.
What is the InChIKey of ethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate?
The InChIKey is JGBPUMAOYLLEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O6/c1-6-29-20(25)23-15-7-11(2)14(10-13(15)21)22-19(24)12-8-16(26-3)18(28-5)17(9-12)27-4/h7-10H,6H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of ethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate?
ethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate has a molecular weight of 422.87 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate is sourced from PubChem (CID 110179148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).