benzyl N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)carbamate

C19H23N3O3 — CID 11709881

IUPACbenzyl N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)carbamate
SMILESCc1cc(N2CCOCC2)nc(C)c1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-14-12-17(22-8-10-24-11-9-22)20-15(2)18(14)21-19(23)25-13-16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3,(H,21,23)
InChIKeyKAEMILXLUFFLSU-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.28
Rot. Bonds4

About benzyl N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)carbamate

benzyl N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)carbamate (PubChem CID 11709881) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is benzyl N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)carbamate
PubChem CID11709881
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namebenzyl N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)carbamate
SMILESCc1cc(N2CCOCC2)nc(C)c1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-14-12-17(22-8-10-24-11-9-22)20-15(2)18(14)21-19(23)25-13-16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3,(H,21,23)
InChIKeyKAEMILXLUFFLSU-UHFFFAOYSA-N
XLogP3.28
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)carbamate?
The IUPAC name of benzyl N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)carbamate (CID 11709881) is benzyl N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)carbamate.
What is the SMILES notation for benzyl N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)carbamate?
The canonical SMILES for benzyl N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)carbamate is Cc1cc(N2CCOCC2)nc(C)c1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)carbamate?
The InChIKey is KAEMILXLUFFLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-12-17(22-8-10-24-11-9-22)20-15(2)18(14)21-19(23)25-13-16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3,(H,21,23).
What are the key properties of benzyl N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)carbamate?
benzyl N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)carbamate has a molecular weight of 341.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)carbamate is sourced from PubChem (CID 11709881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).