3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide

C15H24N2O2 — CID 115153737

IUPAC3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
SMILESCCOc1ccc(CN(C)C(=O)C(C)CN)cc1C
InChIInChI=1S/C15H24N2O2/c1-5-19-14-7-6-13(8-11(14)2)10-17(4)15(18)12(3)9-16/h6-8,12H,5,9-10,16H2,1-4H3
InChIKeyOBTULAPWRDRSIR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.95
Rot. Bonds6

About 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide

3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide (PubChem CID 115153737) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
PubChem CID115153737
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
SMILESCCOc1ccc(CN(C)C(=O)C(C)CN)cc1C
InChIInChI=1S/C15H24N2O2/c1-5-19-14-7-6-13(8-11(14)2)10-17(4)15(18)12(3)9-16/h6-8,12H,5,9-10,16H2,1-4H3
InChIKeyOBTULAPWRDRSIR-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide
CID 115191970
N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139170
3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide
CID 115180628
N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98783803
(2S)-2-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119766961
3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 62671042
4-(4-ethoxy-3-methylphenyl)-2-methylbutanoic acid
CID 116926908
3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115153731
1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260951
4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 116924946
2-amino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 112518237
4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115156304

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide (CID 115153737) is 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide is CCOc1ccc(CN(C)C(=O)C(C)CN)cc1C.
What is the InChIKey of 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide?
The InChIKey is OBTULAPWRDRSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-19-14-7-6-13(8-11(14)2)10-17(4)15(18)12(3)9-16/h6-8,12H,5,9-10,16H2,1-4H3.
What are the key properties of 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide?
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 115153737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).