2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide

C17H28N2O2 — CID 107204065

IUPAC2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN(C)CCCCCO)cc1
InChIInChI=1S/C17H28N2O2/c1-15-7-9-16(10-8-15)13-19(3)17(21)14-18(2)11-5-4-6-12-20/h7-10,20H,4-6,11-14H2,1-3H3
InChIKeyPGSKPYBOCZDEQR-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.05
Rot. Bonds9

About 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide

2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 107204065) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID107204065
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN(C)CCCCCO)cc1
InChIInChI=1S/C17H28N2O2/c1-15-7-9-16(10-8-15)13-19(3)17(21)14-18(2)11-5-4-6-12-20/h7-10,20H,4-6,11-14H2,1-3H3
InChIKeyPGSKPYBOCZDEQR-UHFFFAOYSA-N
XLogP2.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
CID 107204340
2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 62013841
N-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
CID 107204311
2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 110931433
2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid
CID 155421471
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 2450177
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one
CID 62050969
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 43214055
1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
CID 107201105
5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
CID 106547731
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78896082
4-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 166815657

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide (CID 107204065) is 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CN(C)CCCCCO)cc1.
What is the InChIKey of 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is PGSKPYBOCZDEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-15-7-9-16(10-8-15)13-19(3)17(21)14-18(2)11-5-4-6-12-20/h7-10,20H,4-6,11-14H2,1-3H3.
What are the key properties of 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 107204065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).