4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide

C14H22N2O — CID 80543945

IUPAC4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide
SMILESCCN(C(=O)C(C)CCN)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O/c1-4-16(14(17)12(3)9-10-15)13-7-5-11(2)6-8-13/h5-8,12H,4,9-10,15H2,1-3H3
InChIKeyOYMHZXUJLSTRSJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.33
Rot. Bonds5

About 4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide

4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide (PubChem CID 80543945) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide
PubChem CID80543945
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide
SMILESCCN(C(=O)C(C)CCN)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O/c1-4-16(14(17)12(3)9-10-15)13-7-5-11(2)6-8-13/h5-8,12H,4,9-10,15H2,1-3H3
InChIKeyOYMHZXUJLSTRSJ-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-ethyl-N-(4-methylphenyl)propanamide
CID 78979225
N-ethyl-2-methyl-N-(4-methylphenyl)propanamide
CID 60737044
2-cyano-N-ethyl-N-(4-methylphenyl)propanamide
CID 55207914
3-(N-(5-amino-2-methylpentanoyl)-4-methylanilino)propanoic acid
CID 115866973
N-(4-aminophenyl)-N-ethyl-2-methylhexanamide
CID 114245932
4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide
CID 107734511
3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide
CID 62876984
2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide
CID 112516009
5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid
CID 11492533
4-(4-chloro-N-ethylanilino)-3-methyl-4-oxobutanoic acid
CID 59823925
ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666
4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 80543130

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide?
The IUPAC name of 4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide (CID 80543945) is 4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide.
What is the SMILES notation for 4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide?
The canonical SMILES for 4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide is CCN(C(=O)C(C)CCN)c1ccc(C)cc1.
What is the InChIKey of 4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide?
The InChIKey is OYMHZXUJLSTRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-16(14(17)12(3)9-10-15)13-7-5-11(2)6-8-13/h5-8,12H,4,9-10,15H2,1-3H3.
What are the key properties of 4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide?
4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide is sourced from PubChem (CID 80543945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).