propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate

C11H16N2O2 — CID 106934812

IUPACpropan-2-yl N-ethyl-N-pyridin-4-ylcarbamate
SMILESCCN(C(=O)OC(C)C)c1ccncc1
InChIInChI=1S/C11H16N2O2/c1-4-13(11(14)15-9(2)3)10-5-7-12-8-6-10/h5-9H,4H2,1-3H3
InChIKeyQRGYEHPFNBYIOZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.45
Rot. Bonds3

About propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate

propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate (PubChem CID 106934812) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-ethyl-N-pyridin-4-ylcarbamate
PubChem CID106934812
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namepropan-2-yl N-ethyl-N-pyridin-4-ylcarbamate
SMILESCCN(C(=O)OC(C)C)c1ccncc1
InChIInChI=1S/C11H16N2O2/c1-4-13(11(14)15-9(2)3)10-5-7-12-8-6-10/h5-9H,4H2,1-3H3
InChIKeyQRGYEHPFNBYIOZ-UHFFFAOYSA-N
XLogP2.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-ethyl-N-pyridin-4-ylpropanamide
CID 106935605
propan-2-yl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734181
propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 140972623
5-amino-N-ethyl-N-pyridin-4-ylhexanamide
CID 106935326
3-bromo-N-ethyl-N-pyridin-4-ylpropanamide
CID 106934758
5-amino-N-ethyl-4-methyl-N-pyridin-4-ylpentanamide
CID 106935520
3-tert-butyl-1-ethyl-1-pyridin-4-ylurea
CID 106934815
(3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide
CID 106935311
propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate
CID 54940295
2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide
CID 106935267
4-amino-N-ethyl-5-propan-2-yl-N-pyridin-4-yl-1H-pyrazole-3-carboxamide
CID 106934373
N-ethyl-3-hydroxy-2-methyl-N-pyridin-4-ylbenzamide
CID 106936106

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate?
The IUPAC name of propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate (CID 106934812) is propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate.
What is the SMILES notation for propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate?
The canonical SMILES for propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate is CCN(C(=O)OC(C)C)c1ccncc1.
What is the InChIKey of propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate?
The InChIKey is QRGYEHPFNBYIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-13(11(14)15-9(2)3)10-5-7-12-8-6-10/h5-9H,4H2,1-3H3.
What are the key properties of propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate?
propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate has a molecular weight of 208.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate is sourced from PubChem (CID 106934812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).