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

C15H24N2O2 — CID 62473589

IUPAC2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide
SMILESCOCCC(N)C(=O)N(C)Cc1ccc(C)cc1C
InChIInChI=1S/C15H24N2O2/c1-11-5-6-13(12(2)9-11)10-17(3)15(18)14(16)7-8-19-4/h5-6,9,14H,7-8,10,16H2,1-4H3
InChIKeyGAXCXYLQUCRMKJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.63
Rot. Bonds6

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

2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide (PubChem CID 62473589) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide
PubChem CID62473589
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide
SMILESCOCCC(N)C(=O)N(C)Cc1ccc(C)cc1C
InChIInChI=1S/C15H24N2O2/c1-11-5-6-13(12(2)9-11)10-17(3)15(18)14(16)7-8-19-4/h5-6,9,14H,7-8,10,16H2,1-4H3
InChIKeyGAXCXYLQUCRMKJ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 61163337
2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 62477479
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 43346987
2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 62474656
2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide
CID 62474844
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983852
3-amino-4-[(2-methoxy-5-methylphenyl)methyl-methylamino]-4-oxobutanoic acid
CID 64896727
(2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 30796588
3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one
CID 116567372
N-[(2,4-dimethylphenyl)methyl]-N-methylbut-2-enamide
CID 78911940
N-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62853116
methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate
CID 91978759

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide?
The IUPAC name of 2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide (CID 62473589) is 2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide?
The canonical SMILES for 2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide is COCCC(N)C(=O)N(C)Cc1ccc(C)cc1C.
What is the InChIKey of 2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide?
The InChIKey is GAXCXYLQUCRMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-5-6-13(12(2)9-11)10-17(3)15(18)14(16)7-8-19-4/h5-6,9,14H,7-8,10,16H2,1-4H3.
What are the key properties of 2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide?
2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide is sourced from PubChem (CID 62473589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).