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N-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide

C18H26N2O3 — CID 126826252

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide
SMILESCCOc1cccc(CNC(=O)C2CN(C3CCOCC3)C2)c1
InChIInChI=1S/C18H26N2O3/c1-2-23-17-5-3-4-14(10-17)11-19-18(21)15-12-20(13-15)16-6-8-22-9-7-16/h3-5,10,15-16H,2,6-9,11-13H2,1H3,(H,19,21)
InChIKeyIKEDKOSFRUGHFQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.81
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide

N-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide (PubChem CID 126826252) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide
PubChem CID126826252
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide
SMILESCCOc1cccc(CNC(=O)C2CN(C3CCOCC3)C2)c1
InChIInChI=1S/C18H26N2O3/c1-2-23-17-5-3-4-14(10-17)11-19-18(21)15-12-20(13-15)16-6-8-22-9-7-16/h3-5,10,15-16H,2,6-9,11-13H2,1H3,(H,19,21)
InChIKeyIKEDKOSFRUGHFQ-UHFFFAOYSA-N
XLogP1.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide (CID 126826252) is N-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide is CCOc1cccc(CNC(=O)C2CN(C3CCOCC3)C2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide?
The InChIKey is IKEDKOSFRUGHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-23-17-5-3-4-14(10-17)11-19-18(21)15-12-20(13-15)16-6-8-22-9-7-16/h3-5,10,15-16H,2,6-9,11-13H2,1H3,(H,19,21).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide?
N-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 126826252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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