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

C15H24N2O2 — CID 111488709

IUPAC2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CN(C)CCC(C)O)c1
InChIInChI=1S/C15H24N2O2/c1-12-5-4-6-14(9-12)10-16-15(19)11-17(3)8-7-13(2)18/h4-6,9,13,18H,7-8,10-11H2,1-3H3,(H,16,19)
InChIKeyDNYMRAZUBAWHBT-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.31
Rot. Bonds7

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

2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 111488709) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID111488709
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CN(C)CCC(C)O)c1
InChIInChI=1S/C15H24N2O2/c1-12-5-4-6-14(9-12)10-16-15(19)11-17(3)8-7-13(2)18/h4-6,9,13,18H,7-8,10-11H2,1-3H3,(H,16,19)
InChIKeyDNYMRAZUBAWHBT-UHFFFAOYSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911397
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488603
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 111496842
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
N-[(3-methylphenyl)methyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 100794524
2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 111496814
N'-butan-2-yl-N-[(3-methylphenyl)methyl]propanediamide
CID 108941756
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 120872033

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylphenyl)methyl]acetamide (CID 111488709) is 2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)CN(C)CCC(C)O)c1.
What is the InChIKey of 2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is DNYMRAZUBAWHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-5-4-6-14(9-12)10-16-15(19)11-17(3)8-7-13(2)18/h4-6,9,13,18H,7-8,10-11H2,1-3H3,(H,16,19).
What are the key properties of 2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 264.37 g/mol, XLogP of 1.31, 7 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-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 111488709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).