benzyl N-methyl-N-[2-[2-(1-methylcyclopropyl)phenoxy]ethyl]carbamate

C21H25NO3 — CID 58072139

IUPACbenzyl N-methyl-N-[2-[2-(1-methylcyclopropyl)phenoxy]ethyl]carbamate
SMILESCN(CCOc1ccccc1C1(C)CC1)C(=O)OCc1ccccc1
InChIInChI=1S/C21H25NO3/c1-21(12-13-21)18-10-6-7-11-19(18)24-15-14-22(2)20(23)25-16-17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3
InChIKeyYPLBAFHJAWWJPO-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.39
Rot. Bonds7

About benzyl N-methyl-N-[2-[2-(1-methylcyclopropyl)phenoxy]ethyl]carbamate

benzyl N-methyl-N-[2-[2-(1-methylcyclopropyl)phenoxy]ethyl]carbamate (PubChem CID 58072139) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is benzyl N-methyl-N-[2-[2-(1-methylcyclopropyl)phenoxy]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[2-[2-(1-methylcyclopropyl)phenoxy]ethyl]carbamate
PubChem CID58072139
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Namebenzyl N-methyl-N-[2-[2-(1-methylcyclopropyl)phenoxy]ethyl]carbamate
SMILESCN(CCOc1ccccc1C1(C)CC1)C(=O)OCc1ccccc1
InChIInChI=1S/C21H25NO3/c1-21(12-13-21)18-10-6-7-11-19(18)24-15-14-22(2)20(23)25-16-17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3
InChIKeyYPLBAFHJAWWJPO-UHFFFAOYSA-N
XLogP4.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[2-[2-(1-methylcyclopropyl)phenoxy]ethyl]carbamate?
The IUPAC name of benzyl N-methyl-N-[2-[2-(1-methylcyclopropyl)phenoxy]ethyl]carbamate (CID 58072139) is benzyl N-methyl-N-[2-[2-(1-methylcyclopropyl)phenoxy]ethyl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[2-[2-(1-methylcyclopropyl)phenoxy]ethyl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[2-[2-(1-methylcyclopropyl)phenoxy]ethyl]carbamate is CN(CCOc1ccccc1C1(C)CC1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-[2-[2-(1-methylcyclopropyl)phenoxy]ethyl]carbamate?
The InChIKey is YPLBAFHJAWWJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-21(12-13-21)18-10-6-7-11-19(18)24-15-14-22(2)20(23)25-16-17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3.
What are the key properties of benzyl N-methyl-N-[2-[2-(1-methylcyclopropyl)phenoxy]ethyl]carbamate?
benzyl N-methyl-N-[2-[2-(1-methylcyclopropyl)phenoxy]ethyl]carbamate has a molecular weight of 339.44 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[2-[2-(1-methylcyclopropyl)phenoxy]ethyl]carbamate is sourced from PubChem (CID 58072139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).