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

C15H24N2O — CID 61163337

IUPAC(2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
SMILESCc1ccc(CN(C)C(=O)[C@@H](N)C(C)C)c(C)c1
InChIInChI=1S/C15H24N2O/c1-10(2)14(16)15(18)17(5)9-13-7-6-11(3)8-12(13)4/h6-8,10,14H,9,16H2,1-5H3/t14-/m0/s1
InChIKeyXOGQVEPKQLMWIV-AWEZNQCLSA-N
MW248.37 g/mol
LogP2.25
Rot. Bonds4

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

(2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide (PubChem CID 61163337) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
PubChem CID61163337
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
SMILESCc1ccc(CN(C)C(=O)[C@@H](N)C(C)C)c(C)c1
InChIInChI=1S/C15H24N2O/c1-10(2)14(16)15(18)17(5)9-13-7-6-11(3)8-12(13)4/h6-8,10,14H,9,16H2,1-5H3/t14-/m0/s1
InChIKeyXOGQVEPKQLMWIV-AWEZNQCLSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 79011463
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 43346987
(2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 30796588
2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide
CID 62473589
N-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62853116
1-N-[(2,4-dimethylphenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317239
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685871
2-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutanoic acid
CID 115250371
N-[(2,4-dimethylphenyl)methyl]-N-methylbut-2-enamide
CID 78911940
(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide
CID 61154727
3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 81087736

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide (CID 61163337) is (2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide is Cc1ccc(CN(C)C(=O)[C@@H](N)C(C)C)c(C)c1.
What is the InChIKey of (2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is XOGQVEPKQLMWIV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10(2)14(16)15(18)17(5)9-13-7-6-11(3)8-12(13)4/h6-8,10,14H,9,16H2,1-5H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide?
(2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 61163337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).