N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide

C16H22N2O3 — CID 90535556

IUPACN'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C16H22N2O3/c1-2-10-17-14(19)15(20)18-11-16(21,13-8-9-13)12-6-4-3-5-7-12/h3-7,13,21H,2,8-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyVAQXBKRPXXGUES-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.93
Rot. Bonds6

About N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide

N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide (PubChem CID 90535556) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide.

Molecular Properties

Compound NameN'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide
PubChem CID90535556
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C16H22N2O3/c1-2-10-17-14(19)15(20)18-11-16(21,13-8-9-13)12-6-4-3-5-7-12/h3-7,13,21H,2,8-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyVAQXBKRPXXGUES-UHFFFAOYSA-N
XLogP0.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide?
The IUPAC name of N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide (CID 90535556) is N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide.
What is the SMILES notation for N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide?
The canonical SMILES for N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide is CCCNC(=O)C(=O)NCC(O)(c1ccccc1)C1CC1.
What is the InChIKey of N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide?
The InChIKey is VAQXBKRPXXGUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-10-17-14(19)15(20)18-11-16(21,13-8-9-13)12-6-4-3-5-7-12/h3-7,13,21H,2,8-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide?
N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide has a molecular weight of 290.36 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide is sourced from PubChem (CID 90535556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).