3-(4-methylanilino)-N-pentylpropanamide

C15H24N2O — CID 109032122

IUPAC3-(4-methylanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCNc1ccc(C)cc1
InChIInChI=1S/C15H24N2O/c1-3-4-5-11-17-15(18)10-12-16-14-8-6-13(2)7-9-14/h6-9,16H,3-5,10-12H2,1-2H3,(H,17,18)
InChIKeyCVYJHQIHJZTGHY-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.10
Rot. Bonds8

About 3-(4-methylanilino)-N-pentylpropanamide

3-(4-methylanilino)-N-pentylpropanamide (PubChem CID 109032122) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(4-methylanilino)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(4-methylanilino)-N-pentylpropanamide
PubChem CID109032122
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(4-methylanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCNc1ccc(C)cc1
InChIInChI=1S/C15H24N2O/c1-3-4-5-11-17-15(18)10-12-16-14-8-6-13(2)7-9-14/h6-9,16H,3-5,10-12H2,1-2H3,(H,17,18)
InChIKeyCVYJHQIHJZTGHY-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

3-(3,5-dimethylanilino)-N-pentylpropanamide
CID 109032129
3-[4-(dimethylamino)anilino]-N-pentylpropanamide
CID 109032181
N-butyl-3-(4-methoxyanilino)propanamide
CID 109012293
3-[(4-methylphenyl)methylamino]-N-pentylpropanamide
CID 109019959
N-(2-methoxyethyl)-3-(4-methylanilino)propanamide
CID 109015045
N-butyl-3-(pyridin-4-ylamino)propanamide
CID 129043658
4-methyl-N-octylaniline
CID 11816856
N-pentyl-3-(2,4,6-trimethylanilino)propanamide
CID 109032138
N-(3-anilinopropyl)nonanamide
CID 56586452
N-[2-(4-hydroxyanilino)ethyl]octadecanamide
CID 54485525
N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
N-tert-butyl-3-(4-methylanilino)propanamide
CID 109031320

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylanilino)-N-pentylpropanamide?
The IUPAC name of 3-(4-methylanilino)-N-pentylpropanamide (CID 109032122) is 3-(4-methylanilino)-N-pentylpropanamide.
What is the SMILES notation for 3-(4-methylanilino)-N-pentylpropanamide?
The canonical SMILES for 3-(4-methylanilino)-N-pentylpropanamide is CCCCCNC(=O)CCNc1ccc(C)cc1.
What is the InChIKey of 3-(4-methylanilino)-N-pentylpropanamide?
The InChIKey is CVYJHQIHJZTGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-5-11-17-15(18)10-12-16-14-8-6-13(2)7-9-14/h6-9,16H,3-5,10-12H2,1-2H3,(H,17,18).
What are the key properties of 3-(4-methylanilino)-N-pentylpropanamide?
3-(4-methylanilino)-N-pentylpropanamide 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 3-(4-methylanilino)-N-pentylpropanamide is sourced from PubChem (CID 109032122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).