N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide

C16H24N2O2 — CID 109016072

IUPACN-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
SMILESCCc1ccc(NC(=O)CCNCC2CCCO2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-13-5-7-14(8-6-13)18-16(19)9-10-17-12-15-4-3-11-20-15/h5-8,15,17H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyAGIDWAVAKAIOPS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.35
Rot. Bonds7

About N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide

N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide (PubChem CID 109016072) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
PubChem CID109016072
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
SMILESCCc1ccc(NC(=O)CCNCC2CCCO2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-13-5-7-14(8-6-13)18-16(19)9-10-17-12-15-4-3-11-20-15/h5-8,15,17H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyAGIDWAVAKAIOPS-UHFFFAOYSA-N
XLogP2.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016078
N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016147
N-(2,6-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016069
N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981160
(2R)-4-(4-ethylanilino)-4-oxo-2-[[(2S)-oxolan-2-yl]methylamino]butanoic acid
CID 7166006
N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016066
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1292661
N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685898
N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 50977763
N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149685

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide?
The IUPAC name of N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide (CID 109016072) is N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide is CCc1ccc(NC(=O)CCNCC2CCCO2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide?
The InChIKey is AGIDWAVAKAIOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-13-5-7-14(8-6-13)18-16(19)9-10-17-12-15-4-3-11-20-15/h5-8,15,17H,2-4,9-12H2,1H3,(H,18,19).
What are the key properties of N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide?
N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide is sourced from PubChem (CID 109016072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).