N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide

C21H36N2O2 — CID 54783817

IUPACN-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
SMILESCCN(CC)CCNC(=O)C(C)(C)CCCOc1cc(C)ccc1C
InChIInChI=1S/C21H36N2O2/c1-7-23(8-2)14-13-22-20(24)21(5,6)12-9-15-25-19-16-17(3)10-11-18(19)4/h10-11,16H,7-9,12-15H2,1-6H3,(H,22,24)
InChIKeyKEQIBRQHDXKFGW-UHFFFAOYSA-N
MW348.53 g/mol
LogP3.95
Rot. Bonds11

About N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide

N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide (PubChem CID 54783817) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
PubChem CID54783817
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC NameN-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
SMILESCCN(CC)CCNC(=O)C(C)(C)CCCOc1cc(C)ccc1C
InChIInChI=1S/C21H36N2O2/c1-7-23(8-2)14-13-22-20(24)21(5,6)12-9-15-25-19-16-17(3)10-11-18(19)4/h10-11,16H,7-9,12-15H2,1-6H3,(H,22,24)
InChIKeyKEQIBRQHDXKFGW-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 53.95
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

5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide
CID 54783506
5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide
CID 54783886
5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide
CID 54783531
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[2-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]ethyl-ethylamino]propyl]docosa-4,7,10,13,16,19-hexaenamide
CID 67093867
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-methylphenyl)pentanamide
CID 54783593
N-(dimethylcarbamothioyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54784218
5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide
CID 54783499
N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide
CID 54784126
5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide
CID 54784103
sodium;5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid;hydride
CID 173009199
5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide
CID 158479808
N-(4-bromophenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783495

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide (CID 54783817) is N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide is CCN(CC)CCNC(=O)C(C)(C)CCCOc1cc(C)ccc1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
The InChIKey is KEQIBRQHDXKFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O2/c1-7-23(8-2)14-13-22-20(24)21(5,6)12-9-15-25-19-16-17(3)10-11-18(19)4/h10-11,16H,7-9,12-15H2,1-6H3,(H,22,24).
What are the key properties of N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide has a molecular weight of 348.53 g/mol, XLogP of 3.95, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide is sourced from PubChem (CID 54783817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).