2,2-dicyclopropyl-N-(3-phenoxycyclobutyl)morpholine-4-carboxamide

C21H28N2O3 — CID 154851413

IUPAC2,2-dicyclopropyl-N-(3-phenoxycyclobutyl)morpholine-4-carboxamide
SMILESO=C(NC1CC(Oc2ccccc2)C1)N1CCOC(C2CC2)(C2CC2)C1
InChIInChI=1S/C21H28N2O3/c24-20(22-17-12-19(13-17)26-18-4-2-1-3-5-18)23-10-11-25-21(14-23,15-6-7-15)16-8-9-16/h1-5,15-17,19H,6-14H2,(H,22,24)
InChIKeyCHNPMPKMWPWUAH-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.20
Rot. Bonds5

About 2,2-dicyclopropyl-N-(3-phenoxycyclobutyl)morpholine-4-carboxamide

2,2-dicyclopropyl-N-(3-phenoxycyclobutyl)morpholine-4-carboxamide (PubChem CID 154851413) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2,2-dicyclopropyl-N-(3-phenoxycyclobutyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2-dicyclopropyl-N-(3-phenoxycyclobutyl)morpholine-4-carboxamide
PubChem CID154851413
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2,2-dicyclopropyl-N-(3-phenoxycyclobutyl)morpholine-4-carboxamide
SMILESO=C(NC1CC(Oc2ccccc2)C1)N1CCOC(C2CC2)(C2CC2)C1
InChIInChI=1S/C21H28N2O3/c24-20(22-17-12-19(13-17)26-18-4-2-1-3-5-18)23-10-11-25-21(14-23,15-6-7-15)16-8-9-16/h1-5,15-17,19H,6-14H2,(H,22,24)
InChIKeyCHNPMPKMWPWUAH-UHFFFAOYSA-N
XLogP3.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclopropyl-N-(3-phenoxycyclobutyl)morpholine-4-carboxamide?
The IUPAC name of 2,2-dicyclopropyl-N-(3-phenoxycyclobutyl)morpholine-4-carboxamide (CID 154851413) is 2,2-dicyclopropyl-N-(3-phenoxycyclobutyl)morpholine-4-carboxamide.
What is the SMILES notation for 2,2-dicyclopropyl-N-(3-phenoxycyclobutyl)morpholine-4-carboxamide?
The canonical SMILES for 2,2-dicyclopropyl-N-(3-phenoxycyclobutyl)morpholine-4-carboxamide is O=C(NC1CC(Oc2ccccc2)C1)N1CCOC(C2CC2)(C2CC2)C1.
What is the InChIKey of 2,2-dicyclopropyl-N-(3-phenoxycyclobutyl)morpholine-4-carboxamide?
The InChIKey is CHNPMPKMWPWUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-20(22-17-12-19(13-17)26-18-4-2-1-3-5-18)23-10-11-25-21(14-23,15-6-7-15)16-8-9-16/h1-5,15-17,19H,6-14H2,(H,22,24).
What are the key properties of 2,2-dicyclopropyl-N-(3-phenoxycyclobutyl)morpholine-4-carboxamide?
2,2-dicyclopropyl-N-(3-phenoxycyclobutyl)morpholine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclopropyl-N-(3-phenoxycyclobutyl)morpholine-4-carboxamide is sourced from PubChem (CID 154851413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).