2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide

C14H22N2O2 — CID 111496814

IUPAC2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CCC(C)O)cc1
InChIInChI=1S/C14H22N2O2/c1-11-4-6-13(7-5-11)15-14(18)10-16(3)9-8-12(2)17/h4-7,12,17H,8-10H2,1-3H3,(H,15,18)
InChIKeyIJGMUAPPCIMAFX-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.64
Rot. Bonds6

About 2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide

2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide (PubChem CID 111496814) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
PubChem CID111496814
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CCC(C)O)cc1
InChIInChI=1S/C14H22N2O2/c1-11-4-6-13(7-5-11)15-14(18)10-16(3)9-8-12(2)17/h4-7,12,17H,8-10H2,1-3H3,(H,15,18)
InChIKeyIJGMUAPPCIMAFX-UHFFFAOYSA-N
XLogP1.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 110931433
N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665697
N-(4-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8785343
N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666921
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-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 9347465
N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488372
2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide
CID 113166544
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 18197658
2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8588228
N-(4-ethylphenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 55060790

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide (CID 111496814) is 2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CCC(C)O)cc1.
What is the InChIKey of 2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide?
The InChIKey is IJGMUAPPCIMAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-4-6-13(7-5-11)15-14(18)10-16(3)9-8-12(2)17/h4-7,12,17H,8-10H2,1-3H3,(H,15,18).
What are the key properties of 2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide?
2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 111496814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).