N,N,2,2,3-pentamethylhexanamide

C11H23NO — CID 20824927

IUPACN,N,2,2,3-pentamethylhexanamide
SMILESCCCC(C)C(C)(C)C(=O)N(C)C
InChIInChI=1S/C11H23NO/c1-7-8-9(2)11(3,4)10(13)12(5)6/h9H,7-8H2,1-6H3
InChIKeyCDELFKLINYQBHQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.54
Rot. Bonds4

About N,N,2,2,3-pentamethylhexanamide

N,N,2,2,3-pentamethylhexanamide (PubChem CID 20824927) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N,N,2,2,3-pentamethylhexanamide.

Molecular Properties

Compound NameN,N,2,2,3-pentamethylhexanamide
PubChem CID20824927
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN,N,2,2,3-pentamethylhexanamide
SMILESCCCC(C)C(C)(C)C(=O)N(C)C
InChIInChI=1S/C11H23NO/c1-7-8-9(2)11(3,4)10(13)12(5)6/h9H,7-8H2,1-6H3
InChIKeyCDELFKLINYQBHQ-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

silyl 2,2,3-trimethylhexanoate
CID 123494675
2-tert-butylperoxy-2-methylpropane;2,2,3-trimethylhexanoic acid
CID 146295425
4,5,5-trimethylundecan-6-one
CID 173241130
N,N,2-trimethyl-2-propan-2-ylhexanamide
CID 3016600
2,3-dimethyl-2-propan-2-ylhexanamide
CID 56985288
potassium 2,2,3-trimethylheptanoate
CID 175224943
4-amino-2,2-dimethylheptan-3-one
CID 116554671
16-methylheptadecyl 2,2,3-trimethylhexanoate
CID 19704601
(2S)-2-amino-N,3-dimethyl-N-pentan-2-ylbutanamide
CID 61154897
N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide
CID 28569844
2,2,5-trimethyloctane-3,4-dione
CID 11191887
2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid
CID 79303936

Frequently Asked Questions

What is the IUPAC name of N,N,2,2,3-pentamethylhexanamide?
The IUPAC name of N,N,2,2,3-pentamethylhexanamide (CID 20824927) is N,N,2,2,3-pentamethylhexanamide.
What is the SMILES notation for N,N,2,2,3-pentamethylhexanamide?
The canonical SMILES for N,N,2,2,3-pentamethylhexanamide is CCCC(C)C(C)(C)C(=O)N(C)C.
What is the InChIKey of N,N,2,2,3-pentamethylhexanamide?
The InChIKey is CDELFKLINYQBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-7-8-9(2)11(3,4)10(13)12(5)6/h9H,7-8H2,1-6H3.
What are the key properties of N,N,2,2,3-pentamethylhexanamide?
N,N,2,2,3-pentamethylhexanamide has a molecular weight of 185.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2,3-pentamethylhexanamide is sourced from PubChem (CID 20824927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).