benzyl N-[2-ethyl-4-(1-methylpyrrolidin-3-yl)phenyl]carbamate

C21H26N2O2 — CID 155639450

IUPACbenzyl N-[2-ethyl-4-(1-methylpyrrolidin-3-yl)phenyl]carbamate
SMILESCCc1cc(C2CCN(C)C2)ccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-17-13-18(19-11-12-23(2)14-19)9-10-20(17)22-21(24)25-15-16-7-5-4-6-8-16/h4-10,13,19H,3,11-12,14-15H2,1-2H3,(H,22,24)
InChIKeyYUWQNKFTRWDQLL-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.42
Rot. Bonds5

About benzyl N-[2-ethyl-4-(1-methylpyrrolidin-3-yl)phenyl]carbamate

benzyl N-[2-ethyl-4-(1-methylpyrrolidin-3-yl)phenyl]carbamate (PubChem CID 155639450) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is benzyl N-[2-ethyl-4-(1-methylpyrrolidin-3-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-ethyl-4-(1-methylpyrrolidin-3-yl)phenyl]carbamate
PubChem CID155639450
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Namebenzyl N-[2-ethyl-4-(1-methylpyrrolidin-3-yl)phenyl]carbamate
SMILESCCc1cc(C2CCN(C)C2)ccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-17-13-18(19-11-12-23(2)14-19)9-10-20(17)22-21(24)25-15-16-7-5-4-6-8-16/h4-10,13,19H,3,11-12,14-15H2,1-2H3,(H,22,24)
InChIKeyYUWQNKFTRWDQLL-UHFFFAOYSA-N
XLogP4.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[4-(3-hydroxy-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]carbamate
CID 86697979
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CID 174585145
3-(4-methylpiperazin-1-yl)-4-(phenylmethoxycarbonylamino)benzoic acid
CID 118536103
(3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 66775278
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
benzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate
CID 25223284
benzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate
CID 118343797
1-methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
benzyl N-(4-bromo-2-methylphenyl)carbamate
CID 53217034
[4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate
CID 67136159
benzyl N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]carbamate
CID 53260576
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-ethyl-4-(1-methylpyrrolidin-3-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[2-ethyl-4-(1-methylpyrrolidin-3-yl)phenyl]carbamate (CID 155639450) is benzyl N-[2-ethyl-4-(1-methylpyrrolidin-3-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[2-ethyl-4-(1-methylpyrrolidin-3-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[2-ethyl-4-(1-methylpyrrolidin-3-yl)phenyl]carbamate is CCc1cc(C2CCN(C)C2)ccc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-ethyl-4-(1-methylpyrrolidin-3-yl)phenyl]carbamate?
The InChIKey is YUWQNKFTRWDQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-17-13-18(19-11-12-23(2)14-19)9-10-20(17)22-21(24)25-15-16-7-5-4-6-8-16/h4-10,13,19H,3,11-12,14-15H2,1-2H3,(H,22,24).
What are the key properties of benzyl N-[2-ethyl-4-(1-methylpyrrolidin-3-yl)phenyl]carbamate?
benzyl N-[2-ethyl-4-(1-methylpyrrolidin-3-yl)phenyl]carbamate has a molecular weight of 338.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-ethyl-4-(1-methylpyrrolidin-3-yl)phenyl]carbamate is sourced from PubChem (CID 155639450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).