benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate

C20H24N2O4 — CID 103392778

IUPACbenzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate
SMILESCOc1ccc(OC)c(NC2CC(NC(=O)OCc3ccccc3)C2)c1
InChIInChI=1S/C20H24N2O4/c1-24-17-8-9-19(25-2)18(12-17)21-15-10-16(11-15)22-20(23)26-13-14-6-4-3-5-7-14/h3-9,12,15-16,21H,10-11,13H2,1-2H3,(H,22,23)
InChIKeyZZOGHTZIAIIENR-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.57
Rot. Bonds7

About benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate

benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate (PubChem CID 103392778) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate
PubChem CID103392778
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namebenzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate
SMILESCOc1ccc(OC)c(NC2CC(NC(=O)OCc3ccccc3)C2)c1
InChIInChI=1S/C20H24N2O4/c1-24-17-8-9-19(25-2)18(12-17)21-15-10-16(11-15)22-20(23)26-13-14-6-4-3-5-7-14/h3-9,12,15-16,21H,10-11,13H2,1-2H3,(H,22,23)
InChIKeyZZOGHTZIAIIENR-UHFFFAOYSA-N
XLogP3.57
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate
CID 103392787
benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate
CID 103392742
benzyl N-[3-(3-bromo-4-methoxyanilino)cyclobutyl]carbamate
CID 103393510
benzyl N-(2,5-dimethoxyanilino)carbamate
CID 141011379
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate
CID 103392833
benzyl N-[3-(2-cyano-6-methoxyanilino)cyclobutyl]carbamate
CID 107466968
benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393607
benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate
CID 103392743
4-fluoro-3-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]benzoic acid
CID 103393121
benzyl N-[3-(2,3,5-trifluoroanilino)cyclobutyl]carbamate
CID 103393393
benzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate
CID 103393149

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate (CID 103392778) is benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate is COc1ccc(OC)c(NC2CC(NC(=O)OCc3ccccc3)C2)c1.
What is the InChIKey of benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate?
The InChIKey is ZZOGHTZIAIIENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-17-8-9-19(25-2)18(12-17)21-15-10-16(11-15)22-20(23)26-13-14-6-4-3-5-7-14/h3-9,12,15-16,21H,10-11,13H2,1-2H3,(H,22,23).
What are the key properties of benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate?
benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate has a molecular weight of 356.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate is sourced from PubChem (CID 103392778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).