1-ethyl-2-(1-hydroxycyclopropyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide

C18H26N2O2 — CID 166691311

IUPAC1-ethyl-2-(1-hydroxycyclopropyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
SMILESCCN1CC(C(N)=O)(c2ccccc2C(C)C)C1C1(O)CC1
InChIInChI=1S/C18H26N2O2/c1-4-20-11-18(16(19)21,15(20)17(22)9-10-17)14-8-6-5-7-13(14)12(2)3/h5-8,12,15,22H,4,9-11H2,1-3H3,(H2,19,21)
InChIKeyFIEUHFXLRXEGKU-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.76
Rot. Bonds5

About 1-ethyl-2-(1-hydroxycyclopropyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide

1-ethyl-2-(1-hydroxycyclopropyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide (PubChem CID 166691311) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-ethyl-2-(1-hydroxycyclopropyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-(1-hydroxycyclopropyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
PubChem CID166691311
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-ethyl-2-(1-hydroxycyclopropyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
SMILESCCN1CC(C(N)=O)(c2ccccc2C(C)C)C1C1(O)CC1
InChIInChI=1S/C18H26N2O2/c1-4-20-11-18(16(19)21,15(20)17(22)9-10-17)14-8-6-5-7-13(14)12(2)3/h5-8,12,15,22H,4,9-11H2,1-3H3,(H2,19,21)
InChIKeyFIEUHFXLRXEGKU-UHFFFAOYSA-N
XLogP1.76
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(1-hydroxycyclopropyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?
The IUPAC name of 1-ethyl-2-(1-hydroxycyclopropyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide (CID 166691311) is 1-ethyl-2-(1-hydroxycyclopropyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-2-(1-hydroxycyclopropyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-ethyl-2-(1-hydroxycyclopropyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide is CCN1CC(C(N)=O)(c2ccccc2C(C)C)C1C1(O)CC1.
What is the InChIKey of 1-ethyl-2-(1-hydroxycyclopropyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?
The InChIKey is FIEUHFXLRXEGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-20-11-18(16(19)21,15(20)17(22)9-10-17)14-8-6-5-7-13(14)12(2)3/h5-8,12,15,22H,4,9-11H2,1-3H3,(H2,19,21).
What are the key properties of 1-ethyl-2-(1-hydroxycyclopropyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?
1-ethyl-2-(1-hydroxycyclopropyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(1-hydroxycyclopropyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 166691311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).