N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide

C17H24N2O3 — CID 90535558

IUPACN'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C17H24N2O3/c1-12(2)10-18-15(20)16(21)19-11-17(22,14-8-9-14)13-6-4-3-5-7-13/h3-7,12,14,22H,8-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyBATBLBNFOZYDSX-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.17
Rot. Bonds6

About N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide

N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide (PubChem CID 90535558) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide
PubChem CID90535558
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C17H24N2O3/c1-12(2)10-18-15(20)16(21)19-11-17(22,14-8-9-14)13-6-4-3-5-7-13/h3-7,12,14,22H,8-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyBATBLBNFOZYDSX-UHFFFAOYSA-N
XLogP1.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.17
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-propyloxamide
CID 90535556
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 95379595
(2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide
CID 95379382
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(4-methoxyphenyl)oxamide
CID 95379568
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(4-methoxyphenyl)oxamide
CID 71788832
N'-(2-cyclopropyl-2-hydroxypropyl)-N-(2-methylpropyl)oxamide
CID 90499420
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-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 176536965
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90535613
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-(2-methylpropyl)oxamide?
The IUPAC name of N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide (CID 90535558) is N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)NCC(O)(c1ccccc1)C1CC1.
What is the InChIKey of N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide?
The InChIKey is BATBLBNFOZYDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)10-18-15(20)16(21)19-11-17(22,14-8-9-14)13-6-4-3-5-7-13/h3-7,12,14,22H,8-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide?
N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide has a molecular weight of 304.39 g/mol, XLogP of 1.17, 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-(2-methylpropyl)oxamide is sourced from PubChem (CID 90535558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).