5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide

C15H24N2O — CID 82010904

IUPAC5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide
SMILESCc1ccc(C(C)NC(=O)CCC(C)CN)cc1
InChIInChI=1S/C15H24N2O/c1-11-4-7-14(8-5-11)13(3)17-15(18)9-6-12(2)10-16/h4-5,7-8,12-13H,6,9-10,16H2,1-3H3,(H,17,18)
InChIKeyASPHXTIHJLJGLA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.55
Rot. Bonds6

About 5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide

5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide (PubChem CID 82010904) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide
PubChem CID82010904
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide
SMILESCc1ccc(C(C)NC(=O)CCC(C)CN)cc1
InChIInChI=1S/C15H24N2O/c1-11-4-7-14(8-5-11)13(3)17-15(18)9-6-12(2)10-16/h4-5,7-8,12-13H,6,9-10,16H2,1-3H3,(H,17,18)
InChIKeyASPHXTIHJLJGLA-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-[1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 82011641
5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 82016946
5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 82013742
5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide
CID 82011319
6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide
CID 81356680
5-hydroxy-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356317
2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide
CID 54861871
5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide
CID 81355860
3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 81356180
5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 107910353
5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356972
(3S)-3-(aminomethyl)-5-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]hexanamide
CID 81355844

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide?
The IUPAC name of 5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide (CID 82010904) is 5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide is Cc1ccc(C(C)NC(=O)CCC(C)CN)cc1.
What is the InChIKey of 5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide?
The InChIKey is ASPHXTIHJLJGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-4-7-14(8-5-11)13(3)17-15(18)9-6-12(2)10-16/h4-5,7-8,12-13H,6,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide?
5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide is sourced from PubChem (CID 82010904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).