4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride

C13H21ClN2O — CID 120558836

IUPAC4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
SMILESCc1ccc(CNC(=O)CCC(C)N)cc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-10-3-6-12(7-4-10)9-15-13(16)8-5-11(2)14;/h3-4,6-7,11H,5,8-9,14H2,1-2H3,(H,15,16);1H
InChIKeySKISRYLHZJMPDZ-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.16
Rot. Bonds5

About 4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride

4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride (PubChem CID 120558836) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
PubChem CID120558836
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
SMILESCc1ccc(CNC(=O)CCC(C)N)cc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-10-3-6-12(7-4-10)9-15-13(16)8-5-11(2)14;/h3-4,6-7,11H,5,8-9,14H2,1-2H3,(H,15,16);1H
InChIKeySKISRYLHZJMPDZ-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[(4-aminopentanoylamino)methyl]benzoate
CID 120561148
N-[(4-methylphenyl)methyl]butanamide
CID 835678
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CID 60853234
N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 120560978
N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60850941
4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide
CID 115156704
4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 106813362
4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120565344
N-[(4-methylphenyl)methyl]but-3-ynamide
CID 164657026
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide
CID 33239098

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride (CID 120558836) is 4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride is Cc1ccc(CNC(=O)CCC(C)N)cc1.Cl.
What is the InChIKey of 4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride?
The InChIKey is SKISRYLHZJMPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-10-3-6-12(7-4-10)9-15-13(16)8-5-11(2)14;/h3-4,6-7,11H,5,8-9,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride?
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 120558836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).