N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide

C16H26N2O — CID 109019794

IUPACN-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide
SMILESCCCCCNCCC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C16H26N2O/c1-3-4-5-11-17-12-10-16(19)18-13-15-8-6-14(2)7-9-15/h6-9,17H,3-5,10-13H2,1-2H3,(H,18,19)
InChIKeyBDKBFSWIRUZBRS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.78
Rot. Bonds9

About N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide

N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide (PubChem CID 109019794) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide
PubChem CID109019794
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide
SMILESCCCCCNCCC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C16H26N2O/c1-3-4-5-11-17-12-10-16(19)18-13-15-8-6-14(2)7-9-15/h6-9,17H,3-5,10-13H2,1-2H3,(H,18,19)
InChIKeyBDKBFSWIRUZBRS-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

3-[(4-methylphenyl)methylamino]-N-pentylpropanamide
CID 109019959
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[(4-methylphenyl)methyl]butanamide
CID 835678
1-[(4-methylphenyl)methyl]-3-pentylurea
CID 3834489
3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109012394
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 47322497
3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 109019799
5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide
CID 33239098
6-acetamido-N-[(4-methylphenyl)methyl]hexanamide
CID 112763501

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide (CID 109019794) is N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide is CCCCCNCCC(=O)NCc1ccc(C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide?
The InChIKey is BDKBFSWIRUZBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-4-5-11-17-12-10-16(19)18-13-15-8-6-14(2)7-9-15/h6-9,17H,3-5,10-13H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide?
N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide 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 N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide is sourced from PubChem (CID 109019794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).