2-benzyl-2-(hydroxymethoxy)nonanamide

C17H27NO3 — CID 141035749

IUPAC2-benzyl-2-(hydroxymethoxy)nonanamide
SMILESCCCCCCCC(Cc1ccccc1)(OCO)C(N)=O
InChIInChI=1S/C17H27NO3/c1-2-3-4-5-9-12-17(16(18)20,21-14-19)13-15-10-7-6-8-11-15/h6-8,10-11,19H,2-5,9,12-14H2,1H3,(H2,18,20)
InChIKeyANCSTBJESYKXLQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.78
Rot. Bonds11

About 2-benzyl-2-(hydroxymethoxy)nonanamide

2-benzyl-2-(hydroxymethoxy)nonanamide (PubChem CID 141035749) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-benzyl-2-(hydroxymethoxy)nonanamide.

Molecular Properties

Compound Name2-benzyl-2-(hydroxymethoxy)nonanamide
PubChem CID141035749
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-benzyl-2-(hydroxymethoxy)nonanamide
SMILESCCCCCCCC(Cc1ccccc1)(OCO)C(N)=O
InChIInChI=1S/C17H27NO3/c1-2-3-4-5-9-12-17(16(18)20,21-14-19)13-15-10-7-6-8-11-15/h6-8,10-11,19H,2-5,9,12-14H2,1H3,(H2,18,20)
InChIKeyANCSTBJESYKXLQ-UHFFFAOYSA-N
XLogP2.78
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dibenzyltetradecanoic acid
CID 174897332
3-benzyl-3-decyltridecan-2-one
CID 21201320
[2-(3-benzyl-2-methylheptadec-1-en-3-yl)oxy-2-prop-1-en-2-ylhexadecyl]benzene
CID 141409115
2-amino-2-benzylhexanamide
CID 174812463
2-benzyl-2-pentylpropanedioic acid
CID 141045476
8-benzylpentadecan-8-ol
CID 13016086
2-amino-2-(2-phenylethyl)heptanamide
CID 18682968
dibenzyl 2-hexyl-2-nonylpropanedioate
CID 70122186
methyl 2-benzyl-2-trimethylsilylheptanoate
CID 14569484
2-benzyl-2-decyl-4-methylhexadecanoic acid
CID 170305051
2-benzyl-2-propylpropanediamide
CID 131715569
[2-(10-benzylnonadecan-10-yloxy)-2-nonylundecyl]benzene
CID 175936461

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(hydroxymethoxy)nonanamide?
The IUPAC name of 2-benzyl-2-(hydroxymethoxy)nonanamide (CID 141035749) is 2-benzyl-2-(hydroxymethoxy)nonanamide.
What is the SMILES notation for 2-benzyl-2-(hydroxymethoxy)nonanamide?
The canonical SMILES for 2-benzyl-2-(hydroxymethoxy)nonanamide is CCCCCCCC(Cc1ccccc1)(OCO)C(N)=O.
What is the InChIKey of 2-benzyl-2-(hydroxymethoxy)nonanamide?
The InChIKey is ANCSTBJESYKXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-3-4-5-9-12-17(16(18)20,21-14-19)13-15-10-7-6-8-11-15/h6-8,10-11,19H,2-5,9,12-14H2,1H3,(H2,18,20).
What are the key properties of 2-benzyl-2-(hydroxymethoxy)nonanamide?
2-benzyl-2-(hydroxymethoxy)nonanamide has a molecular weight of 293.41 g/mol, XLogP of 2.78, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(hydroxymethoxy)nonanamide is sourced from PubChem (CID 141035749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).