phenyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate

C18H21N3O3 — CID 3243436

IUPACphenyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
SMILESO=C(NCC(c1cccnc1)N1CCOCC1)Oc1ccccc1
InChIInChI=1S/C18H21N3O3/c22-18(24-16-6-2-1-3-7-16)20-14-17(15-5-4-8-19-13-15)21-9-11-23-12-10-21/h1-8,13,17H,9-12,14H2,(H,20,22)
InChIKeyKZXKXDGMAASZQV-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.24
Rot. Bonds5

About phenyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate

phenyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate (PubChem CID 3243436) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is phenyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
PubChem CID3243436
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Namephenyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
SMILESO=C(NCC(c1cccnc1)N1CCOCC1)Oc1ccccc1
InChIInChI=1S/C18H21N3O3/c22-18(24-16-6-2-1-3-7-16)20-14-17(15-5-4-8-19-13-15)21-9-11-23-12-10-21/h1-8,13,17H,9-12,14H2,(H,20,22)
InChIKeyKZXKXDGMAASZQV-UHFFFAOYSA-N
XLogP2.24
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate?
The IUPAC name of phenyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate (CID 3243436) is phenyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate.
What is the SMILES notation for phenyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate?
The canonical SMILES for phenyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate is O=C(NCC(c1cccnc1)N1CCOCC1)Oc1ccccc1.
What is the InChIKey of phenyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate?
The InChIKey is KZXKXDGMAASZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-18(24-16-6-2-1-3-7-16)20-14-17(15-5-4-8-19-13-15)21-9-11-23-12-10-21/h1-8,13,17H,9-12,14H2,(H,20,22).
What are the key properties of phenyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate?
phenyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate has a molecular weight of 327.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate is sourced from PubChem (CID 3243436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).