2-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propanamide

C16H24N2O2 — CID 60996868

IUPAC2-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
SMILESCCc1ccc(C(C)(NCC2CCCO2)C(N)=O)cc1
InChIInChI=1S/C16H24N2O2/c1-3-12-6-8-13(9-7-12)16(2,15(17)19)18-11-14-5-4-10-20-14/h6-9,14,18H,3-5,10-11H2,1-2H3,(H2,17,19)
InChIKeyUDSRTHCJCZNHJN-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.72
Rot. Bonds6

About 2-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propanamide

2-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propanamide (PubChem CID 60996868) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
PubChem CID60996868
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
SMILESCCc1ccc(C(C)(NCC2CCCO2)C(N)=O)cc1
InChIInChI=1S/C16H24N2O2/c1-3-12-6-8-13(9-7-12)16(2,15(17)19)18-11-14-5-4-10-20-14/h6-9,14,18H,3-5,10-11H2,1-2H3,(H2,17,19)
InChIKeyUDSRTHCJCZNHJN-UHFFFAOYSA-N
XLogP1.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60997144
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-ethylbenzoate
CID 2607157
1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one
CID 82100237
ethyl 2-(3-bromophenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60993481
ethyl 2-(2-chlorophenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60993340
2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 61050759
ethyl 2-(2-bromophenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60993773
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60993337
N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685898
N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016072
methyl 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)butanoate
CID 60993623

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propanamide?
The IUPAC name of 2-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propanamide (CID 60996868) is 2-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propanamide.
What is the SMILES notation for 2-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propanamide?
The canonical SMILES for 2-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propanamide is CCc1ccc(C(C)(NCC2CCCO2)C(N)=O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propanamide?
The InChIKey is UDSRTHCJCZNHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-12-6-8-13(9-7-12)16(2,15(17)19)18-11-14-5-4-10-20-14/h6-9,14,18H,3-5,10-11H2,1-2H3,(H2,17,19).
What are the key properties of 2-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propanamide?
2-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propanamide is sourced from PubChem (CID 60996868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).