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'}

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Related Compounds

N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide
CID 90535558
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 95379595
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(4-methoxyphenyl)oxamide
CID 71788832
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(4-methoxyphenyl)oxamide
CID 95379568
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90535613
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 176536965
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-pyridin-3-yloxamide
CID 71788826
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide
CID 95379554
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide
CID 90535391
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)oxamide
CID 71788839
(2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide
CID 95379382
2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide
CID 71806388

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).