3-amino-N-(3-ethyl-4-methylphenyl)butanamide

C13H20N2O — CID 120874215

IUPAC3-amino-N-(3-ethyl-4-methylphenyl)butanamide
SMILESCCc1cc(NC(=O)CC(C)N)ccc1C
InChIInChI=1S/C13H20N2O/c1-4-11-8-12(6-5-9(11)2)15-13(16)7-10(3)14/h5-6,8,10H,4,7,14H2,1-3H3,(H,15,16)
InChIKeyRJUZHYGRRKYJAJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.23
Rot. Bonds4

About 3-amino-N-(3-ethyl-4-methylphenyl)butanamide

3-amino-N-(3-ethyl-4-methylphenyl)butanamide (PubChem CID 120874215) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-amino-N-(3-ethyl-4-methylphenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(3-ethyl-4-methylphenyl)butanamide
PubChem CID120874215
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-amino-N-(3-ethyl-4-methylphenyl)butanamide
SMILESCCc1cc(NC(=O)CC(C)N)ccc1C
InChIInChI=1S/C13H20N2O/c1-4-11-8-12(6-5-9(11)2)15-13(16)7-10(3)14/h5-6,8,10H,4,7,14H2,1-3H3,(H,15,16)
InChIKeyRJUZHYGRRKYJAJ-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672
3-amino-N-(3,5-dimethylphenyl)butanamide
CID 60836814
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673
4-(3-aminobutanoylamino)-2-chlorobenzoic acid
CID 61399027
3-amino-N-(3-bromo-4-fluorophenyl)butanamide
CID 115738294
(2R)-2-[(3-ethyl-4-methylphenyl)carbamoylamino]propanoic acid
CID 114189010
3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide
CID 119713096
3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119702026
2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide
CID 114250238

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethyl-4-methylphenyl)butanamide?
The IUPAC name of 3-amino-N-(3-ethyl-4-methylphenyl)butanamide (CID 120874215) is 3-amino-N-(3-ethyl-4-methylphenyl)butanamide.
What is the SMILES notation for 3-amino-N-(3-ethyl-4-methylphenyl)butanamide?
The canonical SMILES for 3-amino-N-(3-ethyl-4-methylphenyl)butanamide is CCc1cc(NC(=O)CC(C)N)ccc1C.
What is the InChIKey of 3-amino-N-(3-ethyl-4-methylphenyl)butanamide?
The InChIKey is RJUZHYGRRKYJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-11-8-12(6-5-9(11)2)15-13(16)7-10(3)14/h5-6,8,10H,4,7,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-(3-ethyl-4-methylphenyl)butanamide?
3-amino-N-(3-ethyl-4-methylphenyl)butanamide has a molecular weight of 220.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethyl-4-methylphenyl)butanamide is sourced from PubChem (CID 120874215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).