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

C14H22N2O2 — CID 110931433

IUPAC2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CCCCO)cc1
InChIInChI=1S/C14H22N2O2/c1-12-5-7-13(8-6-12)15-14(18)11-16(2)9-3-4-10-17/h5-8,17H,3-4,9-11H2,1-2H3,(H,15,18)
InChIKeyLFURIAOEXWLSFM-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.64
Rot. Bonds7

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

2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide (PubChem CID 110931433) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
PubChem CID110931433
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CCCCO)cc1
InChIInChI=1S/C14H22N2O2/c1-12-5-7-13(8-6-12)15-14(18)11-16(2)9-3-4-10-17/h5-8,17H,3-4,9-11H2,1-2H3,(H,15,18)
InChIKeyLFURIAOEXWLSFM-UHFFFAOYSA-N
XLogP1.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 111496814
N-(4-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8785343
2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 47075327
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
2-[ethyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 31993110
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
2-[5-aminopentyl(methyl)amino]-N-phenylacetamide
CID 107207153
2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 107204065
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729092
N-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107204090
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 60509867

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide (CID 110931433) is 2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CCCCO)cc1.
What is the InChIKey of 2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide?
The InChIKey is LFURIAOEXWLSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12-5-7-13(8-6-12)15-14(18)11-16(2)9-3-4-10-17/h5-8,17H,3-4,9-11H2,1-2H3,(H,15,18).
What are the key properties of 2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide?
2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 110931433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).