N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide

C18H28N2O2 — CID 109016078

IUPACN-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCNCC1CCCO1
InChIInChI=1S/C18H28N2O2/c1-3-14-7-5-8-15(4-2)18(14)20-17(21)10-11-19-13-16-9-6-12-22-16/h5,7-8,16,19H,3-4,6,9-13H2,1-2H3,(H,20,21)
InChIKeyUUPNAEUVZIXFEC-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.91
Rot. Bonds8

About N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide

N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide (PubChem CID 109016078) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
PubChem CID109016078
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCNCC1CCCO1
InChIInChI=1S/C18H28N2O2/c1-3-14-7-5-8-15(4-2)18(14)20-17(21)10-11-19-13-16-9-6-12-22-16/h5,7-8,16,19H,3-4,6,9-13H2,1-2H3,(H,20,21)
InChIKeyUUPNAEUVZIXFEC-UHFFFAOYSA-N
XLogP2.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.91
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-(2,6-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016069
N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815604
N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016072
4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045638
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055
N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016066
N-(2-chloro-4,6-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016092
N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960084
3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109016102
N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016147
1-(2,6-diethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea
CID 60729630
N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
CID 54815821

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide (CID 109016078) is N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide is CCc1cccc(CC)c1NC(=O)CCNCC1CCCO1.
What is the InChIKey of N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide?
The InChIKey is UUPNAEUVZIXFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-14-7-5-8-15(4-2)18(14)20-17(21)10-11-19-13-16-9-6-12-22-16/h5,7-8,16,19H,3-4,6,9-13H2,1-2H3,(H,20,21).
What are the key properties of N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide?
N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide is sourced from PubChem (CID 109016078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).