N-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide

C20H24N2O3 — CID 111799039

IUPACN-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide
SMILESCCC(CCO)NC(=O)C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-2-17(12-13-23)21-19(24)20(25)22-18-11-7-6-10-16(18)14-15-8-4-3-5-9-15/h3-11,17,23H,2,12-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyAWNHEIHEEJDJEH-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.49
Rot. Bonds7

About N-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide

N-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide (PubChem CID 111799039) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide
PubChem CID111799039
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide
SMILESCCC(CCO)NC(=O)C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-2-17(12-13-23)21-19(24)20(25)22-18-11-7-6-10-16(18)14-15-8-4-3-5-9-15/h3-11,17,23H,2,12-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyAWNHEIHEEJDJEH-UHFFFAOYSA-N
XLogP2.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.49
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,N'-bis(2-benzylphenyl)oxamide
CID 2749119
1-(2-benzylphenyl)-3-butan-2-ylurea
CID 75833712
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CID 111475455
2-benzyl-N-pentan-3-ylaniline
CID 29272087
N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide
CID 111799046
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723
(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
CID 40714989
N-(2-benzylphenyl)-4-hydroxybutanamide
CID 79205131
N-(2-ethylphenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
CID 111798095
N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide
CID 115767168
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide?
The IUPAC name of N-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide (CID 111799039) is N-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide.
What is the SMILES notation for N-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide?
The canonical SMILES for N-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide is CCC(CCO)NC(=O)C(=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide?
The InChIKey is AWNHEIHEEJDJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-17(12-13-23)21-19(24)20(25)22-18-11-7-6-10-16(18)14-15-8-4-3-5-9-15/h3-11,17,23H,2,12-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide?
N-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide has a molecular weight of 340.42 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide is sourced from PubChem (CID 111799039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).