N-(2-methyldodec-3-yn-2-yl)benzamide

C20H29NO — CID 570272

IUPACN-(2-methyldodec-3-yn-2-yl)benzamide
SMILESCCCCCCCCC#CC(C)(C)NC(=O)c1ccccc1
InChIInChI=1S/C20H29NO/c1-4-5-6-7-8-9-10-14-17-20(2,3)21-19(22)18-15-12-11-13-16-18/h11-13,15-16H,4-10H2,1-3H3,(H,21,22)
InChIKeyMKVYKPDUKHXIBP-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.95
Rot. Bonds8

About N-(2-methyldodec-3-yn-2-yl)benzamide

N-(2-methyldodec-3-yn-2-yl)benzamide (PubChem CID 570272) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is N-(2-methyldodec-3-yn-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-methyldodec-3-yn-2-yl)benzamide
PubChem CID570272
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC NameN-(2-methyldodec-3-yn-2-yl)benzamide
SMILESCCCCCCCCC#CC(C)(C)NC(=O)c1ccccc1
InChIInChI=1S/C20H29NO/c1-4-5-6-7-8-9-10-14-17-20(2,3)21-19(22)18-15-12-11-13-16-18/h11-13,15-16H,4-10H2,1-3H3,(H,21,22)
InChIKeyMKVYKPDUKHXIBP-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyldodecan-5-yl)benzamide
CID 130355979
N-hept-2-ynylbenzamide
CID 102291976
3-methyl-1,3-diphenylnon-4-yn-1-one
CID 102480469
2-hept-1-ynyl-2-phenylpropanedioic acid
CID 166475605
N-tert-butyl-1-phenylpentadec-2-yn-1-imine
CID 71659442
1-phenylundec-2-yne-1,1-diol
CID 166475568
(E)-1-phenyldec-2-en-4-yn-1-one
CID 45112533
benzoic acid;hexan-1-ol
CID 163447913
benzoic acid;hexan-1-ol
CID 175334621
N'-tert-butyl-N'-undecanoylbenzohydrazide
CID 67922028
benzoic acid;tridecan-1-ol
CID 67710151
N'-tert-butyl-N'-decanoylbenzohydrazide
CID 67921881

Frequently Asked Questions

What is the IUPAC name of N-(2-methyldodec-3-yn-2-yl)benzamide?
The IUPAC name of N-(2-methyldodec-3-yn-2-yl)benzamide (CID 570272) is N-(2-methyldodec-3-yn-2-yl)benzamide.
What is the SMILES notation for N-(2-methyldodec-3-yn-2-yl)benzamide?
The canonical SMILES for N-(2-methyldodec-3-yn-2-yl)benzamide is CCCCCCCCC#CC(C)(C)NC(=O)c1ccccc1.
What is the InChIKey of N-(2-methyldodec-3-yn-2-yl)benzamide?
The InChIKey is MKVYKPDUKHXIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c1-4-5-6-7-8-9-10-14-17-20(2,3)21-19(22)18-15-12-11-13-16-18/h11-13,15-16H,4-10H2,1-3H3,(H,21,22).
What are the key properties of N-(2-methyldodec-3-yn-2-yl)benzamide?
N-(2-methyldodec-3-yn-2-yl)benzamide has a molecular weight of 299.46 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyldodec-3-yn-2-yl)benzamide is sourced from PubChem (CID 570272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).