tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate

C15H22N2O2 — CID 83902120

IUPACtert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1C1CCNC1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-13-7-5-4-6-12(13)11-8-9-16-10-11/h4-7,11,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyQFMAVFPMRJYTRU-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.11
Rot. Bonds2

About tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate

tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate (PubChem CID 83902120) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate
PubChem CID83902120
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1C1CCNC1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-13-7-5-4-6-12(13)11-8-9-16-10-11/h4-7,11,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyQFMAVFPMRJYTRU-UHFFFAOYSA-N
XLogP3.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate
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tert-butyl N-(2-piperidin-2-ylphenyl)carbamate
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1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea
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tert-butyl N-[2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]phenyl]carbamate
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9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate
CID 131725247
tert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate
CID 84710803
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate
CID 107240278
tert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate
CID 117116565
4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride
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tert-butyl N-[2-(cycloheptylmethylamino)phenyl]carbamate
CID 107240333

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate (CID 83902120) is tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate is CC(C)(C)OC(=O)Nc1ccccc1C1CCNC1.
What is the InChIKey of tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate?
The InChIKey is QFMAVFPMRJYTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-13-7-5-4-6-12(13)11-8-9-16-10-11/h4-7,11,16H,8-10H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate?
tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate has a molecular weight of 262.35 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate is sourced from PubChem (CID 83902120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).