4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide

C15H24N2O2 — CID 115155361

IUPAC4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide
SMILESCOc1c(C)cc(C)cc1CN(C)C(=O)CCCN
InChIInChI=1S/C15H24N2O2/c1-11-8-12(2)15(19-4)13(9-11)10-17(3)14(18)6-5-7-16/h8-9H,5-7,10,16H2,1-4H3
InChIKeyXVONNEAFTVBACW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.01
Rot. Bonds6

About 4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide

4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide (PubChem CID 115155361) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide
PubChem CID115155361
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide
SMILESCOc1c(C)cc(C)cc1CN(C)C(=O)CCCN
InChIInChI=1S/C15H24N2O2/c1-11-8-12(2)15(19-4)13(9-11)10-17(3)14(18)6-5-7-16/h8-9H,5-7,10,16H2,1-4H3
InChIKeyXVONNEAFTVBACW-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide
CID 115152925
1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115168389
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151967
methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate
CID 115190641
4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981
4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 82255348
2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide
CID 115151633
6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide
CID 60940329
4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one
CID 82341665
4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide
CID 115155334
4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 115155352
4-amino-N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methylbutanamide
CID 119333284

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide?
The IUPAC name of 4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide (CID 115155361) is 4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide is COc1c(C)cc(C)cc1CN(C)C(=O)CCCN.
What is the InChIKey of 4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide?
The InChIKey is XVONNEAFTVBACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-8-12(2)15(19-4)13(9-11)10-17(3)14(18)6-5-7-16/h8-9H,5-7,10,16H2,1-4H3.
What are the key properties of 4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide?
4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 115155361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).