2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide

C16H23FN2O2 — CID 102848326

IUPAC2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(CCCO)C2CCC2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-12-6-7-13(10-15(12)17)18-16(21)11-19(8-3-9-20)14-4-2-5-14/h6-7,10,14,20H,2-5,8-9,11H2,1H3,(H,18,21)
InChIKeySQRWCHLKSAROCY-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.31
Rot. Bonds7

About 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide

2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 102848326) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID102848326
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(CCCO)C2CCC2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-12-6-7-13(10-15(12)17)18-16(21)11-19(8-3-9-20)14-4-2-5-14/h6-7,10,14,20H,2-5,8-9,11H2,1H3,(H,18,21)
InChIKeySQRWCHLKSAROCY-UHFFFAOYSA-N
XLogP2.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutyl(3-hydroxypropyl)amino]-N-(4-fluorophenyl)acetamide
CID 102848391
2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60834048
2-[cyclohexyl(2-hydroxyethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 110881770
N-(3-chloro-4-methylphenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102677060
N-(3-fluoro-4-methylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62021403
N-(3-chloro-4-fluorophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide
CID 111431998
N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683583
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(2,5-dichlorophenyl)acetamide
CID 102848440
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 60509867
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 55850115
2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 47533816
N-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102860261

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide (CID 102848326) is 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(CCCO)C2CCC2)cc1F.
What is the InChIKey of 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is SQRWCHLKSAROCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12-6-7-13(10-15(12)17)18-16(21)11-19(8-3-9-20)14-4-2-5-14/h6-7,10,14,20H,2-5,8-9,11H2,1H3,(H,18,21).
What are the key properties of 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 294.37 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 102848326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).