N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide

C15H24N2O — CID 114150778

IUPACN-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCCC(C)CN)cc1
InChIInChI=1S/C15H24N2O/c1-12-5-7-14(8-6-12)10-15(18)17-9-3-4-13(2)11-16/h5-8,13H,3-4,9-11,16H2,1-2H3,(H,17,18)
InChIKeyQDMXEZPWTMRFSE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.03
Rot. Bonds7

About N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide

N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide (PubChem CID 114150778) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide
PubChem CID114150778
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCCC(C)CN)cc1
InChIInChI=1S/C15H24N2O/c1-12-5-7-14(8-6-12)10-15(18)17-9-3-4-13(2)11-16/h5-8,13H,3-4,9-11,16H2,1-2H3,(H,17,18)
InChIKeyQDMXEZPWTMRFSE-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.03
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-aminobutyl)-2-(4-methylphenyl)acetamide
CID 60895939
N-(5-amino-4-methylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 106152815
N-(5-amino-4-methylpentyl)-2-naphthalen-1-ylacetamide
CID 106152740
N-(5-amino-4-methylpentyl)-2-(2-methoxyphenyl)acetamide
CID 106152966
2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861403
N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 106153300
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
N-(5-chloropentyl)-2-(4-methylphenyl)acetamide
CID 107320841
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one
CID 116596617
N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)acetamide
CID 83032531
N-(2-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 43418404

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide (CID 114150778) is N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCCCC(C)CN)cc1.
What is the InChIKey of N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide?
The InChIKey is QDMXEZPWTMRFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-5-7-14(8-6-12)10-15(18)17-9-3-4-13(2)11-16/h5-8,13H,3-4,9-11,16H2,1-2H3,(H,17,18).
What are the key properties of N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide?
N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide has a molecular weight of 248.37 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 114150778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).