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

C15H23FN2O2 — CID 62021403

IUPACN-(3-fluoro-4-methylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(CCCO)C(C)C)cc1F
InChIInChI=1S/C15H23FN2O2/c1-11(2)18(7-4-8-19)10-15(20)17-13-6-5-12(3)14(16)9-13/h5-6,9,11,19H,4,7-8,10H2,1-3H3,(H,17,20)
InChIKeyMYKKRVHRAVNGJC-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.17
Rot. Bonds7

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

N-(3-fluoro-4-methylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide (PubChem CID 62021403) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
PubChem CID62021403
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(CCCO)C(C)C)cc1F
InChIInChI=1S/C15H23FN2O2/c1-11(2)18(7-4-8-19)10-15(20)17-13-6-5-12(3)14(16)9-13/h5-6,9,11,19H,4,7-8,10H2,1-3H3,(H,17,20)
InChIKeyMYKKRVHRAVNGJC-UHFFFAOYSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62022595
3-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60835214
N-(3,4-dimethylphenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692795
N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683583
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 102848326
N-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62015602
2-[butan-2-yl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60834710
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913099
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442693
2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide
CID 61351246
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 18094701
methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660462

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide (CID 62021403) is N-(3-fluoro-4-methylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide is Cc1ccc(NC(=O)CN(CCCO)C(C)C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
The InChIKey is MYKKRVHRAVNGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-11(2)18(7-4-8-19)10-15(20)17-13-6-5-12(3)14(16)9-13/h5-6,9,11,19H,4,7-8,10H2,1-3H3,(H,17,20).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide has a molecular weight of 282.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 62021403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).