N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide

C20H34N2O2 — CID 110425742

IUPACN-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide
SMILESCCN(CC)CCOCCNC(=O)CCC(C)(C)c1ccccc1
InChIInChI=1S/C20H34N2O2/c1-5-22(6-2)15-17-24-16-14-21-19(23)12-13-20(3,4)18-10-8-7-9-11-18/h7-11H,5-6,12-17H2,1-4H3,(H,21,23)
InChIKeyKAOHVKYSPOTFNP-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.22
Rot. Bonds12

About N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide

N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide (PubChem CID 110425742) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide
PubChem CID110425742
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC NameN-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide
SMILESCCN(CC)CCOCCNC(=O)CCC(C)(C)c1ccccc1
InChIInChI=1S/C20H34N2O2/c1-5-22(6-2)15-17-24-16-14-21-19(23)12-13-20(3,4)18-10-8-7-9-11-18/h7-11H,5-6,12-17H2,1-4H3,(H,21,23)
InChIKeyKAOHVKYSPOTFNP-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.22
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-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide
CID 110425077
3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide
CID 110618471
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110618521
1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea
CID 110425086
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide
CID 110618477
N-[2-(diethylamino)propyl]-4-methyl-4-phenylpentanamide
CID 110353171
4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide
CID 110354804
N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide
CID 109379708
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 75456489
N-(2-anilino-2-oxoethyl)-4-methyl-4-phenylpentanamide
CID 110353745
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-methylsulfonylpropanamide
CID 110612720
cyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol
CID 143910685

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide (CID 110425742) is N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide is CCN(CC)CCOCCNC(=O)CCC(C)(C)c1ccccc1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide?
The InChIKey is KAOHVKYSPOTFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-5-22(6-2)15-17-24-16-14-21-19(23)12-13-20(3,4)18-10-8-7-9-11-18/h7-11H,5-6,12-17H2,1-4H3,(H,21,23).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide?
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide has a molecular weight of 334.50 g/mol, XLogP of 3.22, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide is sourced from PubChem (CID 110425742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).