N-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide

C16H26N2O — CID 115187668

IUPACN-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
SMILESCNCC(C(=O)N(C)c1cc(C)ccc1C)C(C)C
InChIInChI=1S/C16H26N2O/c1-11(2)14(10-17-5)16(19)18(6)15-9-12(3)7-8-13(15)4/h7-9,11,14,17H,10H2,1-6H3
InChIKeyIXFOTWGRLUXTPM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.76
Rot. Bonds5

About N-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide

N-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide (PubChem CID 115187668) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
PubChem CID115187668
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
SMILESCNCC(C(=O)N(C)c1cc(C)ccc1C)C(C)C
InChIInChI=1S/C16H26N2O/c1-11(2)14(10-17-5)16(19)18(6)15-9-12(3)7-8-13(15)4/h7-9,11,14,17H,10H2,1-6H3
InChIKeyIXFOTWGRLUXTPM-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide
CID 115188789
N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
CID 115187675
3-amino-1-(2,5-dimethylphenyl)-1-methylurea
CID 115192449
N-(2,5-dimethylphenyl)-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183661
2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide
CID 47313257
2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid
CID 119958661
N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167704
methyl 2-[(N,2,5-trimethylanilino)methyl]butanoate
CID 115253052
1-(N,2,5-trimethylanilino)propan-2-ol
CID 82112048
3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115180425
2-[(2,4-dimethylphenyl)-methylcarbamoyl]-3-methylbutanoic acid
CID 115186176
N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 79202080

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide (CID 115187668) is N-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide is CNCC(C(=O)N(C)c1cc(C)ccc1C)C(C)C.
What is the InChIKey of N-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide?
The InChIKey is IXFOTWGRLUXTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)14(10-17-5)16(19)18(6)15-9-12(3)7-8-13(15)4/h7-9,11,14,17H,10H2,1-6H3.
What are the key properties of N-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide?
N-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide has a molecular weight of 262.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide is sourced from PubChem (CID 115187668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).