N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide

C15H24N2O — CID 43677281

IUPACN-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCCC(C)C)c1
InChIInChI=1S/C15H24N2O/c1-5-15(18)17-13-7-6-12(4)14(10-13)16-9-8-11(2)3/h6-7,10-11,16H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyQPLYLCCAQWOORE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.80
Rot. Bonds6

About N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide

N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide (PubChem CID 43677281) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
PubChem CID43677281
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCCC(C)C)c1
InChIInChI=1S/C15H24N2O/c1-5-15(18)17-13-7-6-12(4)14(10-13)16-9-8-11(2)3/h6-7,10-11,16H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyQPLYLCCAQWOORE-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 43700724
N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide
CID 43677310
N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
CID 55894112
N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide
CID 43677282
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide
CID 54844965
(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 103928627
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428
2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 62836559
N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide
CID 64579578
(2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 61156327
N-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
CID 55894113

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide?
The IUPAC name of N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide (CID 43677281) is N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide.
What is the SMILES notation for N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide?
The canonical SMILES for N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide is CCC(=O)Nc1ccc(C)c(NCCC(C)C)c1.
What is the InChIKey of N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide?
The InChIKey is QPLYLCCAQWOORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-15(18)17-13-7-6-12(4)14(10-13)16-9-8-11(2)3/h6-7,10-11,16H,5,8-9H2,1-4H3,(H,17,18).
What are the key properties of N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide?
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide has a molecular weight of 248.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide is sourced from PubChem (CID 43677281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).