N-(5-methyldodecan-5-yl)benzamide

C20H33NO — CID 130355979

IUPACN-(5-methyldodecan-5-yl)benzamide
SMILESCCCCCCCC(C)(CCCC)NC(=O)c1ccccc1
InChIInChI=1S/C20H33NO/c1-4-6-8-9-13-17-20(3,16-7-5-2)21-19(22)18-14-11-10-12-15-18/h10-12,14-15H,4-9,13,16-17H2,1-3H3,(H,21,22)
InChIKeyHKDHXOPQBQZJKB-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.73
Rot. Bonds11

About N-(5-methyldodecan-5-yl)benzamide

N-(5-methyldodecan-5-yl)benzamide (PubChem CID 130355979) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is N-(5-methyldodecan-5-yl)benzamide.

Molecular Properties

Compound NameN-(5-methyldodecan-5-yl)benzamide
PubChem CID130355979
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC NameN-(5-methyldodecan-5-yl)benzamide
SMILESCCCCCCCC(C)(CCCC)NC(=O)c1ccccc1
InChIInChI=1S/C20H33NO/c1-4-6-8-9-13-17-20(3,16-7-5-2)21-19(22)18-14-11-10-12-15-18/h10-12,14-15H,4-9,13,16-17H2,1-3H3,(H,21,22)
InChIKeyHKDHXOPQBQZJKB-UHFFFAOYSA-N
XLogP5.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyldodec-3-yn-2-yl)benzamide
CID 570272
N'-(4-methylnon-1-en-4-yl)benzohydrazide
CID 134860467
(2R)-2-amino-2-methylhexanoic acid;(2R)-2-benzamido-2-methylhexanoic acid;hydrochloride
CID 167595361
1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide
CID 134124725
2,2-diamino-1-phenyldecan-1-one
CID 67896103
(2-hexyl-2-methyldecyl) benzoate
CID 138503847
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
N'-tert-butyl-N'-undecanoylbenzohydrazide
CID 67922028
benzoic acid;tridecan-1-ol
CID 67710151
N'-tert-butyl-N'-decanoylbenzohydrazide
CID 67921881
benzoic acid;hexan-1-ol
CID 163447913
benzoic acid;hexan-1-ol
CID 175334621

Frequently Asked Questions

What is the IUPAC name of N-(5-methyldodecan-5-yl)benzamide?
The IUPAC name of N-(5-methyldodecan-5-yl)benzamide (CID 130355979) is N-(5-methyldodecan-5-yl)benzamide.
What is the SMILES notation for N-(5-methyldodecan-5-yl)benzamide?
The canonical SMILES for N-(5-methyldodecan-5-yl)benzamide is CCCCCCCC(C)(CCCC)NC(=O)c1ccccc1.
What is the InChIKey of N-(5-methyldodecan-5-yl)benzamide?
The InChIKey is HKDHXOPQBQZJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-4-6-8-9-13-17-20(3,16-7-5-2)21-19(22)18-14-11-10-12-15-18/h10-12,14-15H,4-9,13,16-17H2,1-3H3,(H,21,22).
What are the key properties of N-(5-methyldodecan-5-yl)benzamide?
N-(5-methyldodecan-5-yl)benzamide has a molecular weight of 303.49 g/mol, XLogP of 5.73, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyldodecan-5-yl)benzamide is sourced from PubChem (CID 130355979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).