propyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate

C17H20N2O4 — CID 71324755

IUPACpropyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate
SMILESCCCOC(=O)NCCOc1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C17H20N2O4/c1-2-12-22-17(20)19-11-13-21-14-6-8-15(9-7-14)23-16-5-3-4-10-18-16/h3-10H,2,11-13H2,1H3,(H,19,20)
InChIKeyKDMCLEQZOKEAFM-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.39
Rot. Bonds8

About propyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate

propyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate (PubChem CID 71324755) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is propyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate.

Molecular Properties

Compound Namepropyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate
PubChem CID71324755
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Namepropyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate
SMILESCCCOC(=O)NCCOc1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C17H20N2O4/c1-2-12-22-17(20)19-11-13-21-14-6-8-15(9-7-14)23-16-5-3-4-10-18-16/h3-10H,2,11-13H2,1H3,(H,19,20)
InChIKeyKDMCLEQZOKEAFM-UHFFFAOYSA-N
XLogP3.39
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36805335
methyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
CID 142063187
ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
CID 19881385
octadecyl N-[2-(4-hydroxyphenoxy)ethyl]carbamate
CID 18183900
prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
CID 67919517
N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
CID 119568739
2-butoxypyridine;carbonic acid
CID 159061563
ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate
CID 101239228
3-phenylpropyl N-(2-phenoxyethyl)carbamate
CID 6733581
(4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30805310
butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate
CID 108573944
ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate
CID 54333004

Frequently Asked Questions

What is the IUPAC name of propyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate?
The IUPAC name of propyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate (CID 71324755) is propyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate.
What is the SMILES notation for propyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate?
The canonical SMILES for propyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate is CCCOC(=O)NCCOc1ccc(Oc2ccccn2)cc1.
What is the InChIKey of propyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate?
The InChIKey is KDMCLEQZOKEAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-2-12-22-17(20)19-11-13-21-14-6-8-15(9-7-14)23-16-5-3-4-10-18-16/h3-10H,2,11-13H2,1H3,(H,19,20).
What are the key properties of propyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate?
propyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate has a molecular weight of 316.36 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate is sourced from PubChem (CID 71324755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).