3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide

C15H24N2O — CID 64685871

IUPAC3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
SMILESCc1ccc(CN(C)C(=O)CC(C)(C)N)c(C)c1
InChIInChI=1S/C15H24N2O/c1-11-6-7-13(12(2)8-11)10-17(5)14(18)9-15(3,4)16/h6-8H,9-10,16H2,1-5H3
InChIKeyBQASWUAQBXDXBE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.39
Rot. Bonds4

About 3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide

3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide (PubChem CID 64685871) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
PubChem CID64685871
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
SMILESCc1ccc(CN(C)C(=O)CC(C)(C)N)c(C)c1
InChIInChI=1S/C15H24N2O/c1-11-6-7-13(12(2)8-11)10-17(5)14(18)9-15(3,4)16/h6-8H,9-10,16H2,1-5H3
InChIKeyBQASWUAQBXDXBE-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide
CID 115157370
6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide
CID 60940329
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 43346985
3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 81087736
2,2,2-trifluoroethyl N-[(2,4-dimethylphenyl)methyl]-N-methylcarbamate
CID 65168937
(2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 61163337
3-amino-N-benzyl-N,3-dimethylbutanamide
CID 64684536
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 43346987
N-[(2,4-dimethylphenyl)methyl]-N-methylbut-2-enamide
CID 78911940
5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18117131
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 4-bromobenzoate
CID 18196850

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of 3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide (CID 64685871) is 3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for 3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide is Cc1ccc(CN(C)C(=O)CC(C)(C)N)c(C)c1.
What is the InChIKey of 3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is BQASWUAQBXDXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-7-13(12(2)8-11)10-17(5)14(18)9-15(3,4)16/h6-8H,9-10,16H2,1-5H3.
What are the key properties of 3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide?
3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 64685871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).