2-benzyl-N-(6-hydroxyhexanoyl)benzamide

C20H23NO3 — CID 88504632

IUPAC2-benzyl-N-(6-hydroxyhexanoyl)benzamide
SMILESO=C(CCCCCO)NC(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C20H23NO3/c22-14-8-2-5-13-19(23)21-20(24)18-12-7-6-11-17(18)15-16-9-3-1-4-10-16/h1,3-4,6-7,9-12,22H,2,5,8,13-15H2,(H,21,23,24)
InChIKeyXUWLNAIZHAIEIQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.09
Rot. Bonds8

About 2-benzyl-N-(6-hydroxyhexanoyl)benzamide

2-benzyl-N-(6-hydroxyhexanoyl)benzamide (PubChem CID 88504632) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-benzyl-N-(6-hydroxyhexanoyl)benzamide.

Molecular Properties

Compound Name2-benzyl-N-(6-hydroxyhexanoyl)benzamide
PubChem CID88504632
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-benzyl-N-(6-hydroxyhexanoyl)benzamide
SMILESO=C(CCCCCO)NC(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C20H23NO3/c22-14-8-2-5-13-19(23)21-20(24)18-12-7-6-11-17(18)15-16-9-3-1-4-10-16/h1,3-4,6-7,9-12,22H,2,5,8,13-15H2,(H,21,23,24)
InChIKeyXUWLNAIZHAIEIQ-UHFFFAOYSA-N
XLogP3.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzylphenyl)-4-hydroxybutanamide
CID 79205131
4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid
CID 45426449
methyl 4-[(2-benzylbenzoyl)amino]butanoate
CID 112794767
N-(2-phenylacetyl)octadecanamide
CID 175258087
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide
CID 110877152
[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate
CID 18074052
methyl 2-[(2-benzylbenzoyl)amino]acetate
CID 78800072
2-ethyl-N-(6-hydroxyhexyl)benzamide
CID 103918854
N-methyl-2-[(4-methylphenyl)methyl]benzamide
CID 3722320
2-benzyl-N-(4-phenoxyphenyl)benzamide
CID 7914966
2-benzyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 7900260

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(6-hydroxyhexanoyl)benzamide?
The IUPAC name of 2-benzyl-N-(6-hydroxyhexanoyl)benzamide (CID 88504632) is 2-benzyl-N-(6-hydroxyhexanoyl)benzamide.
What is the SMILES notation for 2-benzyl-N-(6-hydroxyhexanoyl)benzamide?
The canonical SMILES for 2-benzyl-N-(6-hydroxyhexanoyl)benzamide is O=C(CCCCCO)NC(=O)c1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-(6-hydroxyhexanoyl)benzamide?
The InChIKey is XUWLNAIZHAIEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-14-8-2-5-13-19(23)21-20(24)18-12-7-6-11-17(18)15-16-9-3-1-4-10-16/h1,3-4,6-7,9-12,22H,2,5,8,13-15H2,(H,21,23,24).
What are the key properties of 2-benzyl-N-(6-hydroxyhexanoyl)benzamide?
2-benzyl-N-(6-hydroxyhexanoyl)benzamide has a molecular weight of 325.41 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(6-hydroxyhexanoyl)benzamide is sourced from PubChem (CID 88504632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).