2,2,4,4-tetramethyl-N-octylhexanamide

C18H37NO — CID 178052018

IUPAC2,2,4,4-tetramethyl-N-octylhexanamide
SMILESCCCCCCCCNC(=O)C(C)(C)CC(C)(C)CC
InChIInChI=1S/C18H37NO/c1-7-9-10-11-12-13-14-19-16(20)18(5,6)15-17(3,4)8-2/h7-15H2,1-6H3,(H,19,20)
InChIKeyHMJXTWNAGDQIHA-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.32
Rot. Bonds11

About 2,2,4,4-tetramethyl-N-octylhexanamide

2,2,4,4-tetramethyl-N-octylhexanamide (PubChem CID 178052018) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-N-octylhexanamide.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-N-octylhexanamide
PubChem CID178052018
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name2,2,4,4-tetramethyl-N-octylhexanamide
SMILESCCCCCCCCNC(=O)C(C)(C)CC(C)(C)CC
InChIInChI=1S/C18H37NO/c1-7-9-10-11-12-13-14-19-16(20)18(5,6)15-17(3,4)8-2/h7-15H2,1-6H3,(H,19,20)
InChIKeyHMJXTWNAGDQIHA-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.32
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

3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
2-amino-2-ethyl-N-hexylbutanamide
CID 79810029
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256
2-tert-butyl-N-hexyl-2,4,4-trimethylpentanamide;2-tert-butyl-2,4,4-trimethyl-N-pentylpentanamide
CID 143661220
N-dodecyl-4,4-dimethylhexanamide
CID 88894406
tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate
CID 135363819
2,2-dichloro-N-pentylpropanamide
CID 12827689
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2,2-trichloro-N-dodecylacetamide
CID 4986291
N-decyl-2,2-bis(trifluoromethyl)butanamide
CID 5023706

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-N-octylhexanamide?
The IUPAC name of 2,2,4,4-tetramethyl-N-octylhexanamide (CID 178052018) is 2,2,4,4-tetramethyl-N-octylhexanamide.
What is the SMILES notation for 2,2,4,4-tetramethyl-N-octylhexanamide?
The canonical SMILES for 2,2,4,4-tetramethyl-N-octylhexanamide is CCCCCCCCNC(=O)C(C)(C)CC(C)(C)CC.
What is the InChIKey of 2,2,4,4-tetramethyl-N-octylhexanamide?
The InChIKey is HMJXTWNAGDQIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-7-9-10-11-12-13-14-19-16(20)18(5,6)15-17(3,4)8-2/h7-15H2,1-6H3,(H,19,20).
What are the key properties of 2,2,4,4-tetramethyl-N-octylhexanamide?
2,2,4,4-tetramethyl-N-octylhexanamide has a molecular weight of 283.50 g/mol, XLogP of 5.32, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-N-octylhexanamide is sourced from PubChem (CID 178052018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).