tert-butyl N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-ethylcarbamate

C16H23ClN2O4 — CID 164573575

IUPACtert-butyl N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-ethylcarbamate
SMILESCCN(CC(=O)Nc1ccc(OC)c(Cl)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23ClN2O4/c1-6-19(15(21)23-16(2,3)4)10-14(20)18-11-7-8-13(22-5)12(17)9-11/h7-9H,6,10H2,1-5H3,(H,18,20)
InChIKeyNRTIAAGYQNQHPY-UHFFFAOYSA-N
MW342.82 g/mol
LogP3.54
Rot. Bonds5

About tert-butyl N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-ethylcarbamate

tert-butyl N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-ethylcarbamate (PubChem CID 164573575) has the molecular formula C16H23ClN2O4 and a molecular weight of 342.82 g/mol. Its IUPAC name is tert-butyl N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-ethylcarbamate
PubChem CID164573575
Molecular FormulaC16H23ClN2O4
Molecular Weight342.82 g/mol
Exact Mass342.13
IUPAC Nametert-butyl N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-ethylcarbamate
SMILESCCN(CC(=O)Nc1ccc(OC)c(Cl)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23ClN2O4/c1-6-19(15(21)23-16(2,3)4)10-14(20)18-11-7-8-13(22-5)12(17)9-11/h7-9H,6,10H2,1-5H3,(H,18,20)
InChIKeyNRTIAAGYQNQHPY-UHFFFAOYSA-N
XLogP3.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115669592
2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113158934
N-(3-chloro-4-methoxyphenyl)-2-[ethyl(heptyl)amino]acetamide
CID 19855901
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 31477725
3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987212
N-(3-chloro-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683803
N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109008840
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride
CID 119928898
2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113170654
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113161867

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-ethylcarbamate (CID 164573575) is tert-butyl N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-ethylcarbamate is CCN(CC(=O)Nc1ccc(OC)c(Cl)c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-ethylcarbamate?
The InChIKey is NRTIAAGYQNQHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4/c1-6-19(15(21)23-16(2,3)4)10-14(20)18-11-7-8-13(22-5)12(17)9-11/h7-9H,6,10H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-ethylcarbamate?
tert-butyl N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-ethylcarbamate has a molecular weight of 342.82 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-ethylcarbamate is sourced from PubChem (CID 164573575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).