3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide

C15H24N2O — CID 115153746

IUPAC3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
SMILESCc1cc(C)c(CN(C)C(=O)C(C)CN)cc1C
InChIInChI=1S/C15H24N2O/c1-10-6-12(3)14(7-11(10)2)9-17(5)15(18)13(4)8-16/h6-7,13H,8-9,16H2,1-5H3
InChIKeyVFSPXRQZZZJVNV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.17
Rot. Bonds4

About 3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide

3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide (PubChem CID 115153746) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
PubChem CID115153746
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
SMILESCc1cc(C)c(CN(C)C(=O)C(C)CN)cc1C
InChIInChI=1S/C15H24N2O/c1-10-6-12(3)14(7-11(10)2)9-17(5)15(18)13(4)8-16/h6-7,13H,8-9,16H2,1-5H3
InChIKeyVFSPXRQZZZJVNV-UHFFFAOYSA-N
XLogP2.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide
CID 115153767
3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115153731
3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115153748
2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115179983
3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 83535959
3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 62668717
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 62670361
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 115153737
2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine
CID 115138216
3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 62671042
4-[methyl-[(2,4,5-trimethylphenyl)methyl]amino]-4-oxobutanoic acid
CID 115163709
N-methyl-3-sulfanyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115167953

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide (CID 115153746) is 3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide is Cc1cc(C)c(CN(C)C(=O)C(C)CN)cc1C.
What is the InChIKey of 3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide?
The InChIKey is VFSPXRQZZZJVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-6-12(3)14(7-11(10)2)9-17(5)15(18)13(4)8-16/h6-7,13H,8-9,16H2,1-5H3.
What are the key properties of 3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide?
3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide is sourced from PubChem (CID 115153746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).