N-(2-hydroxyethyl)-N'-(4-phenylbutan-2-yl)oxamide

C14H20N2O3 — CID 2969178

IUPACN-(2-hydroxyethyl)-N'-(4-phenylbutan-2-yl)oxamide
SMILESCC(CCc1ccccc1)NC(=O)C(=O)NCCO
InChIInChI=1S/C14H20N2O3/c1-11(7-8-12-5-3-2-4-6-12)16-14(19)13(18)15-9-10-17/h2-6,11,17H,7-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyBIAPIOFMRYJXBZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.23
Rot. Bonds6

About N-(2-hydroxyethyl)-N'-(4-phenylbutan-2-yl)oxamide

N-(2-hydroxyethyl)-N'-(4-phenylbutan-2-yl)oxamide (PubChem CID 2969178) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N'-(4-phenylbutan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N'-(4-phenylbutan-2-yl)oxamide
PubChem CID2969178
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC NameN-(2-hydroxyethyl)-N'-(4-phenylbutan-2-yl)oxamide
SMILESCC(CCc1ccccc1)NC(=O)C(=O)NCCO
InChIInChI=1S/C14H20N2O3/c1-11(7-8-12-5-3-2-4-6-12)16-14(19)13(18)15-9-10-17/h2-6,11,17H,7-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyBIAPIOFMRYJXBZ-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 ≤ 500264.33
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-(2-hydroxyethyl)-N'-(4-phenylbutan-2-yl)oxamide?
The IUPAC name of N-(2-hydroxyethyl)-N'-(4-phenylbutan-2-yl)oxamide (CID 2969178) is N-(2-hydroxyethyl)-N'-(4-phenylbutan-2-yl)oxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N'-(4-phenylbutan-2-yl)oxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N'-(4-phenylbutan-2-yl)oxamide is CC(CCc1ccccc1)NC(=O)C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-N'-(4-phenylbutan-2-yl)oxamide?
The InChIKey is BIAPIOFMRYJXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(7-8-12-5-3-2-4-6-12)16-14(19)13(18)15-9-10-17/h2-6,11,17H,7-10H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(2-hydroxyethyl)-N'-(4-phenylbutan-2-yl)oxamide?
N-(2-hydroxyethyl)-N'-(4-phenylbutan-2-yl)oxamide has a molecular weight of 264.33 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-(2-hydroxyethyl)-N'-(4-phenylbutan-2-yl)oxamide is sourced from PubChem (CID 2969178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).