2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide

C15H24N2O — CID 43725728

IUPAC2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide
SMILESCC(C)CCNc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C15H24N2O/c1-11(2)8-9-16-13-6-5-7-14(10-13)17-15(18)12(3)4/h5-7,10-12,16H,8-9H2,1-4H3,(H,17,18)
InChIKeyXIYROQMLWFSVMX-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.74
Rot. Bonds6

About 2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide

2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide (PubChem CID 43725728) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide
PubChem CID43725728
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide
SMILESCC(C)CCNc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C15H24N2O/c1-11(2)8-9-16-13-6-5-7-14(10-13)17-15(18)12(3)4/h5-7,10-12,16H,8-9H2,1-4H3,(H,17,18)
InChIKeyXIYROQMLWFSVMX-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3-methylbutylamino)phenyl]urea
CID 43744542
N-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide
CID 102975691
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
3,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 39130919
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine
CID 170004129
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831682
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831626
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide
CID 17189285

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide (CID 43725728) is 2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide is CC(C)CCNc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of 2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide?
The InChIKey is XIYROQMLWFSVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)8-9-16-13-6-5-7-14(10-13)17-15(18)12(3)4/h5-7,10-12,16H,8-9H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide?
2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide has a molecular weight of 248.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide is sourced from PubChem (CID 43725728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).