N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide

C13H16N2O3 — CID 108503179

IUPACN'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(O)cc1)C(=O)NC1CC1
InChIInChI=1S/C13H16N2O3/c16-11-5-1-9(2-6-11)7-8-14-12(17)13(18)15-10-3-4-10/h1-2,5-6,10,16H,3-4,7-8H2,(H,14,17)(H,15,18)
InChIKeyKAVOIHKHNHPXRK-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.33
Rot. Bonds4

About N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide

N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide (PubChem CID 108503179) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
PubChem CID108503179
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(O)cc1)C(=O)NC1CC1
InChIInChI=1S/C13H16N2O3/c16-11-5-1-9(2-6-11)7-8-14-12(17)13(18)15-10-3-4-10/h1-2,5-6,10,16H,3-4,7-8H2,(H,14,17)(H,15,18)
InChIKeyKAVOIHKHNHPXRK-UHFFFAOYSA-N
XLogP0.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide (CID 108503179) is N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide is O=C(NCCc1ccc(O)cc1)C(=O)NC1CC1.
What is the InChIKey of N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The InChIKey is KAVOIHKHNHPXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-11-5-1-9(2-6-11)7-8-14-12(17)13(18)15-10-3-4-10/h1-2,5-6,10,16H,3-4,7-8H2,(H,14,17)(H,15,18).
What are the key properties of N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide has a molecular weight of 248.28 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108503179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).