N-(2-methylphenyl)-3-(pentylamino)propanamide

C15H24N2O — CID 109032228

IUPACN-(2-methylphenyl)-3-(pentylamino)propanamide
SMILESCCCCCNCCC(=O)Nc1ccccc1C
InChIInChI=1S/C15H24N2O/c1-3-4-7-11-16-12-10-15(18)17-14-9-6-5-8-13(14)2/h5-6,8-9,16H,3-4,7,10-12H2,1-2H3,(H,17,18)
InChIKeyMJDHULWSWCMQHW-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.10
Rot. Bonds8

About N-(2-methylphenyl)-3-(pentylamino)propanamide

N-(2-methylphenyl)-3-(pentylamino)propanamide (PubChem CID 109032228) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-(pentylamino)propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-(pentylamino)propanamide
PubChem CID109032228
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2-methylphenyl)-3-(pentylamino)propanamide
SMILESCCCCCNCCC(=O)Nc1ccccc1C
InChIInChI=1S/C15H24N2O/c1-3-4-7-11-16-12-10-15(18)17-14-9-6-5-8-13(14)2/h5-6,8-9,16H,3-4,7,10-12H2,1-2H3,(H,17,18)
InChIKeyMJDHULWSWCMQHW-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-3-(3-phenylpropylamino)propanamide
CID 109030922
2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026030
N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide
CID 109032256
N-(2-methylphenyl)-3-oxododecanamide
CID 25129600
N-(2,3-dimethylphenyl)-2-(hexadecylamino)acetamide
CID 54808961
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
N-(2,6-dimethylphenyl)-3-(propylamino)propanamide
CID 59981693
N-(2,4-dimethylphenyl)-3-(propylamino)propanamide
CID 109011557
[2-(pentanoylamino)phenyl] formate
CID 54559360

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-(pentylamino)propanamide?
The IUPAC name of N-(2-methylphenyl)-3-(pentylamino)propanamide (CID 109032228) is N-(2-methylphenyl)-3-(pentylamino)propanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-(pentylamino)propanamide?
The canonical SMILES for N-(2-methylphenyl)-3-(pentylamino)propanamide is CCCCCNCCC(=O)Nc1ccccc1C.
What is the InChIKey of N-(2-methylphenyl)-3-(pentylamino)propanamide?
The InChIKey is MJDHULWSWCMQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-7-11-16-12-10-15(18)17-14-9-6-5-8-13(14)2/h5-6,8-9,16H,3-4,7,10-12H2,1-2H3,(H,17,18).
What are the key properties of N-(2-methylphenyl)-3-(pentylamino)propanamide?
N-(2-methylphenyl)-3-(pentylamino)propanamide has a molecular weight of 248.37 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-(pentylamino)propanamide is sourced from PubChem (CID 109032228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).