3-amino-N-(2,5-diethylphenyl)butanamide

C14H22N2O — CID 119817500

IUPAC3-amino-N-(2,5-diethylphenyl)butanamide
SMILESCCc1ccc(CC)c(NC(=O)CC(C)N)c1
InChIInChI=1S/C14H22N2O/c1-4-11-6-7-12(5-2)13(9-11)16-14(17)8-10(3)15/h6-7,9-10H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyVDICIXSSUUAMJF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.49
Rot. Bonds5

About 3-amino-N-(2,5-diethylphenyl)butanamide

3-amino-N-(2,5-diethylphenyl)butanamide (PubChem CID 119817500) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-amino-N-(2,5-diethylphenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2,5-diethylphenyl)butanamide
PubChem CID119817500
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-amino-N-(2,5-diethylphenyl)butanamide
SMILESCCc1ccc(CC)c(NC(=O)CC(C)N)c1
InChIInChI=1S/C14H22N2O/c1-4-11-6-7-12(5-2)13(9-11)16-14(17)8-10(3)15/h6-7,9-10H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyVDICIXSSUUAMJF-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
4-(2,5-diethylanilino)-3-methyl-4-oxobutanoic acid
CID 146081775
3-amino-N-(3-ethyl-4-methylphenyl)butanamide
CID 120874215
4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide
CID 115156220
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673
5-ethyl-2-(3-methylbutanoylamino)benzoic acid
CID 110465723
N,N'-bis(2,4-diethylphenyl)propanediamide
CID 19008540
3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide
CID 119713096
3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide
CID 120872763
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide
CID 54924467
(2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 96569823
3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride
CID 120873520

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-diethylphenyl)butanamide?
The IUPAC name of 3-amino-N-(2,5-diethylphenyl)butanamide (CID 119817500) is 3-amino-N-(2,5-diethylphenyl)butanamide.
What is the SMILES notation for 3-amino-N-(2,5-diethylphenyl)butanamide?
The canonical SMILES for 3-amino-N-(2,5-diethylphenyl)butanamide is CCc1ccc(CC)c(NC(=O)CC(C)N)c1.
What is the InChIKey of 3-amino-N-(2,5-diethylphenyl)butanamide?
The InChIKey is VDICIXSSUUAMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-11-6-7-12(5-2)13(9-11)16-14(17)8-10(3)15/h6-7,9-10H,4-5,8,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-(2,5-diethylphenyl)butanamide?
3-amino-N-(2,5-diethylphenyl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-diethylphenyl)butanamide is sourced from PubChem (CID 119817500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).