(3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate

C15H22N2O2 — CID 13483047

IUPAC(3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cccc(N2CCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-3-16(4-2)15(18)19-14-9-7-8-13(12-14)17-10-5-6-11-17/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyBGACMCYWCWMVPS-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.13
Rot. Bonds4

About (3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate

(3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate (PubChem CID 13483047) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate
PubChem CID13483047
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cccc(N2CCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-3-16(4-2)15(18)19-14-9-7-8-13(12-14)17-10-5-6-11-17/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyBGACMCYWCWMVPS-UHFFFAOYSA-N
XLogP3.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate
CID 10924256
1-(3-methoxyphenyl)azepane
CID 57276431
[3-(trifluoromethyl)phenyl] N,N-diethylcarbamate
CID 102099488
1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine
CID 168512674
(4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate
CID 67304885
1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride
CID 21114970
1-(3-tetradecoxyphenyl)pyrrolidine
CID 54006267
4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide
CID 79153554
N-ethyl-N-[(3-morpholin-4-ylphenyl)methyl]acetamide
CID 144965173
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8592436
N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 175014113
sodium;3-chlorophenol;(3-chlorophenyl) N,N-diethylcarbamate;N,N-diethylcarbamoyl chloride;hydride
CID 159038669

Frequently Asked Questions

What is the IUPAC name of (3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate?
The IUPAC name of (3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate (CID 13483047) is (3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate.
What is the SMILES notation for (3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate?
The canonical SMILES for (3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cccc(N2CCCC2)c1.
What is the InChIKey of (3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate?
The InChIKey is BGACMCYWCWMVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-16(4-2)15(18)19-14-9-7-8-13(12-14)17-10-5-6-11-17/h7-9,12H,3-6,10-11H2,1-2H3.
What are the key properties of (3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate?
(3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate has a molecular weight of 262.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate is sourced from PubChem (CID 13483047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).