2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide

C14H22N2O — CID 43507938

IUPAC2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide
SMILESCCC(C)C(=O)Nc1ccccc1C(C)NC
InChIInChI=1S/C14H22N2O/c1-5-10(2)14(17)16-13-9-7-6-8-12(13)11(3)15-4/h6-11,15H,5H2,1-4H3,(H,16,17)
InChIKeyWGGFRDOWPSBJON-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.95
Rot. Bonds5

About 2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide

2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide (PubChem CID 43507938) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide
PubChem CID43507938
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide
SMILESCCC(C)C(=O)Nc1ccccc1C(C)NC
InChIInChI=1S/C14H22N2O/c1-5-10(2)14(17)16-13-9-7-6-8-12(13)11(3)15-4/h6-11,15H,5H2,1-4H3,(H,16,17)
InChIKeyWGGFRDOWPSBJON-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-chloroethyl)phenyl]-2-methylbutanamide
CID 114304941
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758
3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62727616
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea
CID 43508295
2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide
CID 43508040
2-[[(2R)-2-methylbutanoyl]amino]benzoate
CID 6978566
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507778
3-(ethylamino)-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62838572
3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507964
2-(4-fluorophenyl)-N-[2-[1-(methylamino)ethyl]phenyl]acetamide
CID 43507974

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide?
The IUPAC name of 2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide (CID 43507938) is 2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide is CCC(C)C(=O)Nc1ccccc1C(C)NC.
What is the InChIKey of 2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide?
The InChIKey is WGGFRDOWPSBJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-10(2)14(17)16-13-9-7-6-8-12(13)11(3)15-4/h6-11,15H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide?
2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide is sourced from PubChem (CID 43507938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).