N-(4-methylphenyl)-2-(pentylamino)acetamide

C14H22N2O — CID 28569144

IUPACN-(4-methylphenyl)-2-(pentylamino)acetamide
SMILESCCCCCNCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H22N2O/c1-3-4-5-10-15-11-14(17)16-13-8-6-12(2)7-9-13/h6-9,15H,3-5,10-11H2,1-2H3,(H,16,17)
InChIKeyAIISVXCELCIDJB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.71
Rot. Bonds7

About N-(4-methylphenyl)-2-(pentylamino)acetamide

N-(4-methylphenyl)-2-(pentylamino)acetamide (PubChem CID 28569144) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(pentylamino)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(pentylamino)acetamide
PubChem CID28569144
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(4-methylphenyl)-2-(pentylamino)acetamide
SMILESCCCCCNCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H22N2O/c1-3-4-5-10-15-11-14(17)16-13-8-6-12(2)7-9-13/h6-9,15H,3-5,10-11H2,1-2H3,(H,16,17)
InChIKeyAIISVXCELCIDJB-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.71
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-fluorophenyl)-2-(pentylamino)acetamide
CID 28569105
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389
2-(heptylamino)-N-(4-methoxyphenyl)acetamide
CID 54814691
4-[[2-(hexadecylamino)acetyl]amino]-N-methylbenzamide
CID 54808915
ethyl 4-[[2-(pentylamino)acetyl]amino]benzoate
CID 109006003
2-(butylamino)-N-(4-ethylphenyl)acetamide
CID 108993075
2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide
CID 106211682
2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide
CID 54808874
N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide
CID 54808879
N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide
CID 109005999
N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814556
2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54808989

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(pentylamino)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(pentylamino)acetamide (CID 28569144) is N-(4-methylphenyl)-2-(pentylamino)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(pentylamino)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(pentylamino)acetamide is CCCCCNCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(pentylamino)acetamide?
The InChIKey is AIISVXCELCIDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-4-5-10-15-11-14(17)16-13-8-6-12(2)7-9-13/h6-9,15H,3-5,10-11H2,1-2H3,(H,16,17).
What are the key properties of N-(4-methylphenyl)-2-(pentylamino)acetamide?
N-(4-methylphenyl)-2-(pentylamino)acetamide has a molecular weight of 234.34 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(pentylamino)acetamide is sourced from PubChem (CID 28569144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).