N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide

C20H41NO3 — CID 176614152

IUPACN-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
SMILESCC(C)(C)CCCCCC(=O)NCCOCCOCCC(C)(C)C
InChIInChI=1S/C20H41NO3/c1-19(2,3)11-9-7-8-10-18(22)21-13-15-24-17-16-23-14-12-20(4,5)6/h7-17H2,1-6H3,(H,21,22)
InChIKeyLPURQZOONWCJIK-UHFFFAOYSA-N
MW343.55 g/mol
LogP4.57
Rot. Bonds13

About N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide

N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide (PubChem CID 176614152) has the molecular formula C20H41NO3 and a molecular weight of 343.55 g/mol. Its IUPAC name is N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide.

Molecular Properties

Compound NameN-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
PubChem CID176614152
Molecular FormulaC20H41NO3
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC NameN-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
SMILESCC(C)(C)CCCCCC(=O)NCCOCCOCCC(C)(C)C
InChIInChI=1S/C20H41NO3/c1-19(2,3)11-9-7-8-10-18(22)21-13-15-24-17-16-23-14-12-20(4,5)6/h7-17H2,1-6H3,(H,21,22)
InChIKeyLPURQZOONWCJIK-UHFFFAOYSA-N
XLogP4.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.55
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide
CID 90290747
N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-7,7-dimethyloctanamide
CID 135193572
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 158577719
N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-4-(12,12-dimethyltridecanoylamino)-N'-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]heptanediamide
CID 170095237
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 139430629
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939
4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide
CID 58070977
N-butyl-10,10-dimethylundecanamide
CID 19922141
3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide
CID 166976016
N'-(7,7-dimethyloctyl)-N-methyldecanediamide
CID 167085333
N-decyl-7,7-dimethyloctanamide
CID 139961894

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide?
The IUPAC name of N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide (CID 176614152) is N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide.
What is the SMILES notation for N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide?
The canonical SMILES for N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide is CC(C)(C)CCCCCC(=O)NCCOCCOCCC(C)(C)C.
What is the InChIKey of N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide?
The InChIKey is LPURQZOONWCJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO3/c1-19(2,3)11-9-7-8-10-18(22)21-13-15-24-17-16-23-14-12-20(4,5)6/h7-17H2,1-6H3,(H,21,22).
What are the key properties of N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide?
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide has a molecular weight of 343.55 g/mol, XLogP of 4.57, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide is sourced from PubChem (CID 176614152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).