N-(3-amino-4-ethylphenyl)-2-ethylbutanamide

C14H22N2O — CID 28866738

IUPACN-(3-amino-4-ethylphenyl)-2-ethylbutanamide
SMILESCCc1ccc(NC(=O)C(CC)CC)cc1N
InChIInChI=1S/C14H22N2O/c1-4-10(5-2)14(17)16-12-8-7-11(6-3)13(15)9-12/h7-10H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyTUTCKFUFTRPUAA-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.21
Rot. Bonds5

About N-(3-amino-4-ethylphenyl)-2-ethylbutanamide

N-(3-amino-4-ethylphenyl)-2-ethylbutanamide (PubChem CID 28866738) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-2-ethylbutanamide
PubChem CID28866738
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(3-amino-4-ethylphenyl)-2-ethylbutanamide
SMILESCCc1ccc(NC(=O)C(CC)CC)cc1N
InChIInChI=1S/C14H22N2O/c1-4-10(5-2)14(17)16-12-8-7-11(6-3)13(15)9-12/h7-10H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyTUTCKFUFTRPUAA-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224973
N-(3-amino-4-ethylphenyl)-2-methylpentanamide
CID 43550225
N-(3-amino-4-methylphenyl)-2-ethylhexanamide
CID 43125441
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
N-(3,4-dibromophenyl)-2-ethylbutanamide
CID 3701645
N-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide
CID 82224974
1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea
CID 43551516
N-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide
CID 64788855
2-ethyl-N-[7-(2-ethylbutanoylamino)-9H-fluoren-2-yl]butanamide
CID 9320374
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-2-ethylbutanamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-2-ethylbutanamide (CID 28866738) is N-(3-amino-4-ethylphenyl)-2-ethylbutanamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-2-ethylbutanamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-2-ethylbutanamide is CCc1ccc(NC(=O)C(CC)CC)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-2-ethylbutanamide?
The InChIKey is TUTCKFUFTRPUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-10(5-2)14(17)16-12-8-7-11(6-3)13(15)9-12/h7-10H,4-6,15H2,1-3H3,(H,16,17).
What are the key properties of N-(3-amino-4-ethylphenyl)-2-ethylbutanamide?
N-(3-amino-4-ethylphenyl)-2-ethylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-2-ethylbutanamide is sourced from PubChem (CID 28866738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).