4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide

C15H24N2O2 — CID 115156304

IUPAC4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
SMILESCCOc1ccc(N(C)C(=O)CC(C)CN)cc1C
InChIInChI=1S/C15H24N2O2/c1-5-19-14-7-6-13(9-12(14)3)17(4)15(18)8-11(2)10-16/h6-7,9,11H,5,8,10,16H2,1-4H3
InChIKeyASHQWOGTHHPBHZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.34
Rot. Bonds6

About 4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide

4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide (PubChem CID 115156304) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
PubChem CID115156304
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
SMILESCCOc1ccc(N(C)C(=O)CC(C)CN)cc1C
InChIInChI=1S/C15H24N2O2/c1-5-19-14-7-6-13(9-12(14)3)17(4)15(18)8-11(2)10-16/h6-7,9,11H,5,8,10,16H2,1-4H3
InChIKeyASHQWOGTHHPBHZ-UHFFFAOYSA-N
XLogP2.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166060
3-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115154910
N-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162888
4-amino-N,3-dimethyl-N-phenylbutanamide
CID 81071544
4-amino-N,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 115156272
4-amino-N-(3-chloro-4-fluorophenyl)-N,3-dimethylbutanamide
CID 115156319
4-amino-N,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide
CID 115156292
N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide
CID 123550338
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 115153737
N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
CID 119583890
2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide
CID 115186880
4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 116924946

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide?
The IUPAC name of 4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide (CID 115156304) is 4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide?
The canonical SMILES for 4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide is CCOc1ccc(N(C)C(=O)CC(C)CN)cc1C.
What is the InChIKey of 4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide?
The InChIKey is ASHQWOGTHHPBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-19-14-7-6-13(9-12(14)3)17(4)15(18)8-11(2)10-16/h6-7,9,11H,5,8,10,16H2,1-4H3.
What are the key properties of 4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide?
4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 115156304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).