3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide

C13H20N2O — CID 115154049

IUPAC3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
SMILESCc1ccc(N(C)C(=O)CC(C)N)c(C)c1
InChIInChI=1S/C13H20N2O/c1-9-5-6-12(10(2)7-9)15(4)13(16)8-11(3)14/h5-7,11H,8,14H2,1-4H3
InChIKeyLRUMNDINGWITOJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.00
Rot. Bonds3

About 3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide

3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide (PubChem CID 115154049) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
PubChem CID115154049
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
SMILESCc1ccc(N(C)C(=O)CC(C)N)c(C)c1
InChIInChI=1S/C13H20N2O/c1-9-5-6-12(10(2)7-9)15(4)13(16)8-11(3)14/h5-7,11H,8,14H2,1-4H3
InChIKeyLRUMNDINGWITOJ-UHFFFAOYSA-N
XLogP2.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
CID 115154101
N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138834
ethyl 3-oxo-3-(N,2,4-trimethylanilino)propanoate
CID 115138496
2-amino-N-(2,4-dimethylphenyl)-N-methylhexanamide
CID 113227828
N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide
CID 79193265
3-amino-N-(2-bromophenyl)-N-methylbutanamide
CID 115154147
2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide
CID 62500171
2-[(2,4-dimethylphenyl)-methylcarbamoyl]-3-methylbutanoic acid
CID 115186176
2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate
CID 79349510
2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid
CID 62002506
3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide
CID 76932122
(2S)-4-amino-2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 63717377

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide?
The IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide (CID 115154049) is 3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide?
The canonical SMILES for 3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide is Cc1ccc(N(C)C(=O)CC(C)N)c(C)c1.
What is the InChIKey of 3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide?
The InChIKey is LRUMNDINGWITOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-5-6-12(10(2)7-9)15(4)13(16)8-11(3)14/h5-7,11H,8,14H2,1-4H3.
What are the key properties of 3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide?
3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide has a molecular weight of 220.32 g/mol, XLogP of 2.00, 3 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)-N-methylbutanamide is sourced from PubChem (CID 115154049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).