N'-(1-hydroxybutan-2-yl)-N-(2-phenylethyl)oxamide

C14H20N2O3 — CID 2957182

IUPACN'-(1-hydroxybutan-2-yl)-N-(2-phenylethyl)oxamide
SMILESCCC(CO)NC(=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-12(10-17)16-14(19)13(18)15-9-8-11-6-4-3-5-7-11/h3-7,12,17H,2,8-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyYRJAYWNXVCDQMA-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.23
Rot. Bonds6

About N'-(1-hydroxybutan-2-yl)-N-(2-phenylethyl)oxamide

N'-(1-hydroxybutan-2-yl)-N-(2-phenylethyl)oxamide (PubChem CID 2957182) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N'-(1-hydroxybutan-2-yl)-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-(1-hydroxybutan-2-yl)-N-(2-phenylethyl)oxamide
PubChem CID2957182
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN'-(1-hydroxybutan-2-yl)-N-(2-phenylethyl)oxamide
SMILESCCC(CO)NC(=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-12(10-17)16-14(19)13(18)15-9-8-11-6-4-3-5-7-11/h3-7,12,17H,2,8-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyYRJAYWNXVCDQMA-UHFFFAOYSA-N
XLogP0.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.23
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'-(1-hydroxybutan-2-yl)-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-(1-hydroxybutan-2-yl)-N-(2-phenylethyl)oxamide (CID 2957182) is N'-(1-hydroxybutan-2-yl)-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-(1-hydroxybutan-2-yl)-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-(1-hydroxybutan-2-yl)-N-(2-phenylethyl)oxamide is CCC(CO)NC(=O)C(=O)NCCc1ccccc1.
What is the InChIKey of N'-(1-hydroxybutan-2-yl)-N-(2-phenylethyl)oxamide?
The InChIKey is YRJAYWNXVCDQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-12(10-17)16-14(19)13(18)15-9-8-11-6-4-3-5-7-11/h3-7,12,17H,2,8-10H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N'-(1-hydroxybutan-2-yl)-N-(2-phenylethyl)oxamide?
N'-(1-hydroxybutan-2-yl)-N-(2-phenylethyl)oxamide has a molecular weight of 264.32 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxybutan-2-yl)-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 2957182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).