3-[(4-methylphenyl)methylamino]-N-pentylpropanamide

C16H26N2O — CID 109019959

IUPAC3-[(4-methylphenyl)methylamino]-N-pentylpropanamide
SMILESCCCCCNC(=O)CCNCc1ccc(C)cc1
InChIInChI=1S/C16H26N2O/c1-3-4-5-11-18-16(19)10-12-17-13-15-8-6-14(2)7-9-15/h6-9,17H,3-5,10-13H2,1-2H3,(H,18,19)
InChIKeyJBVQSRANBFCCJN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.78
Rot. Bonds9

About 3-[(4-methylphenyl)methylamino]-N-pentylpropanamide

3-[(4-methylphenyl)methylamino]-N-pentylpropanamide (PubChem CID 109019959) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methylamino]-N-pentylpropanamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)methylamino]-N-pentylpropanamide
PubChem CID109019959
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[(4-methylphenyl)methylamino]-N-pentylpropanamide
SMILESCCCCCNC(=O)CCNCc1ccc(C)cc1
InChIInChI=1S/C16H26N2O/c1-3-4-5-11-18-16(19)10-12-17-13-15-8-6-14(2)7-9-15/h6-9,17H,3-5,10-13H2,1-2H3,(H,18,19)
InChIKeyJBVQSRANBFCCJN-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.78
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-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide
CID 109019794
1-[(4-methylphenyl)methyl]-3-pentylurea
CID 3834489
N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109012203
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
3-(4-methylanilino)-N-pentylpropanamide
CID 109032122
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[(4-methylphenyl)methyl]octan-1-amine;hydrochloride
CID 17331169
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019936
3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 47322497
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methylamino]-N-pentylpropanamide?
The IUPAC name of 3-[(4-methylphenyl)methylamino]-N-pentylpropanamide (CID 109019959) is 3-[(4-methylphenyl)methylamino]-N-pentylpropanamide.
What is the SMILES notation for 3-[(4-methylphenyl)methylamino]-N-pentylpropanamide?
The canonical SMILES for 3-[(4-methylphenyl)methylamino]-N-pentylpropanamide is CCCCCNC(=O)CCNCc1ccc(C)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methylamino]-N-pentylpropanamide?
The InChIKey is JBVQSRANBFCCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-4-5-11-18-16(19)10-12-17-13-15-8-6-14(2)7-9-15/h6-9,17H,3-5,10-13H2,1-2H3,(H,18,19).
What are the key properties of 3-[(4-methylphenyl)methylamino]-N-pentylpropanamide?
3-[(4-methylphenyl)methylamino]-N-pentylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methylamino]-N-pentylpropanamide is sourced from PubChem (CID 109019959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).