3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide

C15H24N2O — CID 115153649

IUPAC3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
SMILESCc1cc(C)c(C)c(CNC(=O)C(C)CN)c1C
InChIInChI=1S/C15H24N2O/c1-9-6-10(2)13(5)14(12(9)4)8-17-15(18)11(3)7-16/h6,11H,7-8,16H2,1-5H3,(H,17,18)
InChIKeyKEBMXCUWEUCDTM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.13
Rot. Bonds4

About 3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide

3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide (PubChem CID 115153649) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
PubChem CID115153649
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
SMILESCc1cc(C)c(C)c(CNC(=O)C(C)CN)c1C
InChIInChI=1S/C15H24N2O/c1-9-6-10(2)13(5)14(12(9)4)8-17-15(18)11(3)7-16/h6,11H,7-8,16H2,1-5H3,(H,17,18)
InChIKeyKEBMXCUWEUCDTM-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide?
The IUPAC name of 3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide (CID 115153649) is 3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide is Cc1cc(C)c(C)c(CNC(=O)C(C)CN)c1C.
What is the InChIKey of 3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide?
The InChIKey is KEBMXCUWEUCDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-9-6-10(2)13(5)14(12(9)4)8-17-15(18)11(3)7-16/h6,11H,7-8,16H2,1-5H3,(H,17,18).
What are the key properties of 3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide?
3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide is sourced from PubChem (CID 115153649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).