N-(7,7-difluoro-2,5-dimethyldecyl)-3-methylbutanamide

C17H33F2NO — CID 147447413

IUPACN-(7,7-difluoro-2,5-dimethyldecyl)-3-methylbutanamide
SMILESCCCC(F)(F)CC(C)CCC(C)CNC(=O)CC(C)C
InChIInChI=1S/C17H33F2NO/c1-6-9-17(18,19)11-14(4)7-8-15(5)12-20-16(21)10-13(2)3/h13-15H,6-12H2,1-5H3,(H,20,21)
InChIKeyDXJSPQSMQBCZLW-UHFFFAOYSA-N
MW305.45 g/mol
LogP5.03
Rot. Bonds11

About N-(7,7-difluoro-2,5-dimethyldecyl)-3-methylbutanamide

N-(7,7-difluoro-2,5-dimethyldecyl)-3-methylbutanamide (PubChem CID 147447413) has the molecular formula C17H33F2NO and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(7,7-difluoro-2,5-dimethyldecyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(7,7-difluoro-2,5-dimethyldecyl)-3-methylbutanamide
PubChem CID147447413
Molecular FormulaC17H33F2NO
Molecular Weight305.45 g/mol
Exact Mass305.25
IUPAC NameN-(7,7-difluoro-2,5-dimethyldecyl)-3-methylbutanamide
SMILESCCCC(F)(F)CC(C)CCC(C)CNC(=O)CC(C)C
InChIInChI=1S/C17H33F2NO/c1-6-9-17(18,19)11-14(4)7-8-15(5)12-20-16(21)10-13(2)3/h13-15H,6-12H2,1-5H3,(H,20,21)
InChIKeyDXJSPQSMQBCZLW-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-3-(3-methylbutanoylamino)propanoic acid
CID 169059714
N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride
CID 119998014
3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide
CID 155456074
N-[2-(butanoylamino)ethyl]-3-methylbutanamide
CID 108570913
4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide
CID 135196463
N-(2-methylpentyl)hexanamide
CID 173325003
N-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide
CID 165449742
2,7-dimethyloctan-4-one;methane;3-methyl-N-(2-methylpropyl)butanamide
CID 158240408
N-(2-chloro-4-methylpentyl)-3-methylbutanamide
CID 107157282
methyl 2-methyl-3-(3-methylbutanoylamino)propanoate
CID 59983678
4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid
CID 81073006
N-[(2R)-2,5-diaminopentyl]-3-methylbutanamide
CID 156664171

Frequently Asked Questions

What is the IUPAC name of N-(7,7-difluoro-2,5-dimethyldecyl)-3-methylbutanamide?
The IUPAC name of N-(7,7-difluoro-2,5-dimethyldecyl)-3-methylbutanamide (CID 147447413) is N-(7,7-difluoro-2,5-dimethyldecyl)-3-methylbutanamide.
What is the SMILES notation for N-(7,7-difluoro-2,5-dimethyldecyl)-3-methylbutanamide?
The canonical SMILES for N-(7,7-difluoro-2,5-dimethyldecyl)-3-methylbutanamide is CCCC(F)(F)CC(C)CCC(C)CNC(=O)CC(C)C.
What is the InChIKey of N-(7,7-difluoro-2,5-dimethyldecyl)-3-methylbutanamide?
The InChIKey is DXJSPQSMQBCZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F2NO/c1-6-9-17(18,19)11-14(4)7-8-15(5)12-20-16(21)10-13(2)3/h13-15H,6-12H2,1-5H3,(H,20,21).
What are the key properties of N-(7,7-difluoro-2,5-dimethyldecyl)-3-methylbutanamide?
N-(7,7-difluoro-2,5-dimethyldecyl)-3-methylbutanamide has a molecular weight of 305.45 g/mol, XLogP of 5.03, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-difluoro-2,5-dimethyldecyl)-3-methylbutanamide is sourced from PubChem (CID 147447413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).