2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide

C15H24N2O — CID 60734142

IUPAC2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide
SMILESCc1cccc(CNC(C)C(=O)NCC(C)C)c1
InChIInChI=1S/C15H24N2O/c1-11(2)9-17-15(18)13(4)16-10-14-7-5-6-12(3)8-14/h5-8,11,13,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyFRTQYFWAOHIXKW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.25
Rot. Bonds6

About 2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide

2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide (PubChem CID 60734142) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide
PubChem CID60734142
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide
SMILESCc1cccc(CNC(C)C(=O)NCC(C)C)c1
InChIInChI=1S/C15H24N2O/c1-11(2)9-17-15(18)13(4)16-10-14-7-5-6-12(3)8-14/h5-8,11,13,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyFRTQYFWAOHIXKW-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 55024264
(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
CID 93383408
2-(benzylamino)-N-(2-methylpropyl)propanamide
CID 43086806
N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43087745
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778
N-(ethylcarbamoyl)-2-[(3-methylphenyl)methylamino]propanamide
CID 60734036
methyl 2-[(3-methylphenyl)methylamino]propanoate
CID 60691173
N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62312844
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923
2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 46045368
2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide
CID 115579712
N-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 115591536

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide (CID 60734142) is 2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide is Cc1cccc(CNC(C)C(=O)NCC(C)C)c1.
What is the InChIKey of 2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is FRTQYFWAOHIXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)9-17-15(18)13(4)16-10-14-7-5-6-12(3)8-14/h5-8,11,13,16H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide?
2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 60734142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).