N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide

C22H43NO6 — CID 168855315

IUPACN-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)NCCOCCOCCOCCOCCC(=O)C(C)(C)C
InChIInChI=1S/C22H43NO6/c1-21(2,3)9-7-20(25)23-10-12-27-14-16-29-18-17-28-15-13-26-11-8-19(24)22(4,5)6/h7-18H2,1-6H3,(H,23,25)
InChIKeyHPYCWUVDMCQSRT-UHFFFAOYSA-N
MW417.59 g/mol
LogP3.00
Rot. Bonds17

About N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide

N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide (PubChem CID 168855315) has the molecular formula C22H43NO6 and a molecular weight of 417.59 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
PubChem CID168855315
Molecular FormulaC22H43NO6
Molecular Weight417.59 g/mol
Exact Mass417.31
IUPAC NameN-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)NCCOCCOCCOCCOCCC(=O)C(C)(C)C
InChIInChI=1S/C22H43NO6/c1-21(2,3)9-7-20(25)23-10-12-27-14-16-29-18-17-28-15-13-26-11-8-19(24)22(4,5)6/h7-18H2,1-6H3,(H,23,25)
InChIKeyHPYCWUVDMCQSRT-UHFFFAOYSA-N
XLogP3.00
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 158125954
N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 139430629
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939
1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
CID 162486485
2-[[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]amino]-N-methylacetamide
CID 134452676
N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 134167212
5,5-dimethyl-4-oxo-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]hexanamide
CID 139469641
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
CID 176614152
1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
CID 59078266
4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide
CID 58070977
N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide
CID 90290747
3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide
CID 166976016

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide?
The IUPAC name of N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide (CID 168855315) is N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide?
The canonical SMILES for N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide is CC(C)(C)CCC(=O)NCCOCCOCCOCCOCCC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide?
The InChIKey is HPYCWUVDMCQSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO6/c1-21(2,3)9-7-20(25)23-10-12-27-14-16-29-18-17-28-15-13-26-11-8-19(24)22(4,5)6/h7-18H2,1-6H3,(H,23,25).
What are the key properties of N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide?
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide has a molecular weight of 417.59 g/mol, XLogP of 3.00, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 168855315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).