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

C15H22N2O3 — CID 115666921

IUPACN-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C)CCC(C)O)c1
InChIInChI=1S/C15H22N2O3/c1-11(18)7-8-17(3)10-15(20)16-14-6-4-5-13(9-14)12(2)19/h4-6,9,11,18H,7-8,10H2,1-3H3,(H,16,20)
InChIKeyQJUXMULYYGIYAE-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.53
Rot. Bonds7

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

N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide (PubChem CID 115666921) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
PubChem CID115666921
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C)CCC(C)O)c1
InChIInChI=1S/C15H22N2O3/c1-11(18)7-8-17(3)10-15(20)16-14-6-4-5-13(9-14)12(2)19/h4-6,9,11,18H,7-8,10H2,1-3H3,(H,16,20)
InChIKeyQJUXMULYYGIYAE-UHFFFAOYSA-N
XLogP1.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334507
N-(3-acetylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048960
2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 111496814
N-(3-acetylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 17444168
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695
N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665697
N-(3-acetylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094840
N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147787
N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488372
N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9034829
N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711319
N-(3-acetylphenyl)-2-[acetyl(propyl)amino]acetamide
CID 113158044

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide (CID 115666921) is N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide is CC(=O)c1cccc(NC(=O)CN(C)CCC(C)O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
The InChIKey is QJUXMULYYGIYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(18)7-8-17(3)10-15(20)16-14-6-4-5-13(9-14)12(2)19/h4-6,9,11,18H,7-8,10H2,1-3H3,(H,16,20).
What are the key properties of N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide is sourced from PubChem (CID 115666921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).