2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate

C14H20N2O3 — CID 79345593

IUPAC2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
SMILESO=C(Nc1cccc(CN2CCCC2)c1)OCCO
InChIInChI=1S/C14H20N2O3/c17-8-9-19-14(18)15-13-5-3-4-12(10-13)11-16-6-1-2-7-16/h3-5,10,17H,1-2,6-9,11H2,(H,15,18)
InChIKeyQQBSAWPMURSJLS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.82
Rot. Bonds5

About 2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate

2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate (PubChem CID 79345593) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
PubChem CID79345593
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
SMILESO=C(Nc1cccc(CN2CCCC2)c1)OCCO
InChIInChI=1S/C14H20N2O3/c17-8-9-19-14(18)15-13-5-3-4-12(10-13)11-16-6-1-2-7-16/h3-5,10,17H,1-2,6-9,11H2,(H,15,18)
InChIKeyQQBSAWPMURSJLS-UHFFFAOYSA-N
XLogP1.82
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate
CID 79345921
tert-butyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
CID 65142881
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid
CID 61326883
(2S,3S)-2-amino-3-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 61178548
2-hydroxyethyl N-(3-hydroxyphenyl)carbamate
CID 79345264
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate
CID 79345177
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate (CID 79345593) is 2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate is O=C(Nc1cccc(CN2CCCC2)c1)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate?
The InChIKey is QQBSAWPMURSJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-8-9-19-14(18)15-13-5-3-4-12(10-13)11-16-6-1-2-7-16/h3-5,10,17H,1-2,6-9,11H2,(H,15,18).
What are the key properties of 2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate?
2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate is sourced from PubChem (CID 79345593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).