N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide

C14H22N2O — CID 67275978

IUPACN-(3,5-dimethylphenyl)-4-(ethylamino)butanamide
SMILESCCNCCCC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C14H22N2O/c1-4-15-7-5-6-14(17)16-13-9-11(2)8-12(3)10-13/h8-10,15H,4-7H2,1-3H3,(H,16,17)
InChIKeyIZHNTZRFGIFIJP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.63
Rot. Bonds6

About N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide

N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide (PubChem CID 67275978) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(ethylamino)butanamide
PubChem CID67275978
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(3,5-dimethylphenyl)-4-(ethylamino)butanamide
SMILESCCNCCCC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C14H22N2O/c1-4-15-7-5-6-14(17)16-13-9-11(2)8-12(3)10-13/h8-10,15H,4-7H2,1-3H3,(H,16,17)
InChIKeyIZHNTZRFGIFIJP-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylphenyl)-2-(ethylamino)acetamide
CID 54820628
N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766
2-(ethylamino)-N-(3-fluoro-5-methylphenyl)acetamide
CID 79049951
N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 78802707
N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide
CID 109035607
N-(3,5-dimethylphenyl)-3-(3-methyldiazirin-3-yl)propanamide
CID 171998477
3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide
CID 109021533
N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide
CID 107365757
N'-(3-acetyl-5-methylphenyl)decanediamide
CID 143191869
N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide
CID 114250285
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
N-(3,5-dimethylphenyl)-3-(3,5-dioxopyrazolidin-4-yl)propanamide
CID 110703727

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide (CID 67275978) is N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide is CCNCCCC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide?
The InChIKey is IZHNTZRFGIFIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-15-7-5-6-14(17)16-13-9-11(2)8-12(3)10-13/h8-10,15H,4-7H2,1-3H3,(H,16,17).
What are the key properties of N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide?
N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide is sourced from PubChem (CID 67275978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).