N-(2,2-dimethylpropyl)-N-ethyl-8,8-dimethylnonanamide

C18H37NO — CID 153306649

IUPACN-(2,2-dimethylpropyl)-N-ethyl-8,8-dimethylnonanamide
SMILESCCN(CC(C)(C)C)C(=O)CCCCCCC(C)(C)C
InChIInChI=1S/C18H37NO/c1-8-19(15-18(5,6)7)16(20)13-11-9-10-12-14-17(2,3)4/h8-15H2,1-7H3
InChIKeyYVFMMBVHSRMDMO-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.27
Rot. Bonds8

About N-(2,2-dimethylpropyl)-N-ethyl-8,8-dimethylnonanamide

N-(2,2-dimethylpropyl)-N-ethyl-8,8-dimethylnonanamide (PubChem CID 153306649) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-ethyl-8,8-dimethylnonanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-ethyl-8,8-dimethylnonanamide
PubChem CID153306649
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-(2,2-dimethylpropyl)-N-ethyl-8,8-dimethylnonanamide
SMILESCCN(CC(C)(C)C)C(=O)CCCCCCC(C)(C)C
InChIInChI=1S/C18H37NO/c1-8-19(15-18(5,6)7)16(20)13-11-9-10-12-14-17(2,3)4/h8-15H2,1-7H3
InChIKeyYVFMMBVHSRMDMO-UHFFFAOYSA-N
XLogP5.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 18991193
N-hydroxy-N,7,7-trimethyloctanamide
CID 19818896
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CID 19794003
15,15-dimethylhexadecan-2-one
CID 19021221
N,N,N',N'-tetraethyl-5-oxononanediamide
CID 24828551
N,N-diethyl-8-methylnon-7-enamide
CID 11458780
7,7-dimethyloctanoate
CID 21225528
6,6-dimethylheptanoic acid;7,7-dimethyloctanoic acid;iron
CID 56841408
alumane;7,7-dimethyloctanoic acid
CID 174339298
calcium;6,6-dimethylheptanoate;8,8-dimethylnonanoate
CID 56844065
6,6-dimethylheptanoic acid;8,8-dimethylnonanoic acid;zinc
CID 56844104
7,7-dimethyloctanoic acid;hafnium
CID 174685338

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-ethyl-8,8-dimethylnonanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-ethyl-8,8-dimethylnonanamide (CID 153306649) is N-(2,2-dimethylpropyl)-N-ethyl-8,8-dimethylnonanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-ethyl-8,8-dimethylnonanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-ethyl-8,8-dimethylnonanamide is CCN(CC(C)(C)C)C(=O)CCCCCCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-ethyl-8,8-dimethylnonanamide?
The InChIKey is YVFMMBVHSRMDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-8-19(15-18(5,6)7)16(20)13-11-9-10-12-14-17(2,3)4/h8-15H2,1-7H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-ethyl-8,8-dimethylnonanamide?
N-(2,2-dimethylpropyl)-N-ethyl-8,8-dimethylnonanamide has a molecular weight of 283.50 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-ethyl-8,8-dimethylnonanamide is sourced from PubChem (CID 153306649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).