N-[3-acetyl-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide

C24H29FN2O5 — CID 22313733

IUPACN-[3-acetyl-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)cc(C(C)=O)c1OCC(O)CN1CCC(Oc2ccc(F)cc2)C1
InChIInChI=1S/C24H29FN2O5/c1-15-10-22(16(2)28)24(23(11-15)26-17(3)29)31-14-19(30)12-27-9-8-21(13-27)32-20-6-4-18(25)5-7-20/h4-7,10-11,19,21,30H,8-9,12-14H2,1-3H3,(H,26,29)
InChIKeyVWHUXRFAAKDQJN-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.19
Rot. Bonds9

About N-[3-acetyl-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide

N-[3-acetyl-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide (PubChem CID 22313733) has the molecular formula C24H29FN2O5 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[3-acetyl-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetyl-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide
PubChem CID22313733
Molecular FormulaC24H29FN2O5
Molecular Weight444.50 g/mol
Exact Mass444.21
IUPAC NameN-[3-acetyl-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)cc(C(C)=O)c1OCC(O)CN1CCC(Oc2ccc(F)cc2)C1
InChIInChI=1S/C24H29FN2O5/c1-15-10-22(16(2)28)24(23(11-15)26-17(3)29)31-14-19(30)12-27-9-8-21(13-27)32-20-6-4-18(25)5-7-20/h4-7,10-11,19,21,30H,8-9,12-14H2,1-3H3,(H,26,29)
InChIKeyVWHUXRFAAKDQJN-UHFFFAOYSA-N
XLogP3.19
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-fluoro-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10136007
N-[2-[3-[3-(3,4-difluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide
CID 10295631
1-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 141041922
1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 141041982
methyl 2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzoate
CID 10135790
N-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide
CID 91321425
N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10159022
N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]cyclobutanecarboxamide
CID 10226384
N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide
CID 139966276
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041914
N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide
CID 110908283
1-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 10294850

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide?
The IUPAC name of N-[3-acetyl-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide (CID 22313733) is N-[3-acetyl-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide.
What is the SMILES notation for N-[3-acetyl-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide?
The canonical SMILES for N-[3-acetyl-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide is CC(=O)Nc1cc(C)cc(C(C)=O)c1OCC(O)CN1CCC(Oc2ccc(F)cc2)C1.
What is the InChIKey of N-[3-acetyl-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide?
The InChIKey is VWHUXRFAAKDQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O5/c1-15-10-22(16(2)28)24(23(11-15)26-17(3)29)31-14-19(30)12-27-9-8-21(13-27)32-20-6-4-18(25)5-7-20/h4-7,10-11,19,21,30H,8-9,12-14H2,1-3H3,(H,26,29).
What are the key properties of N-[3-acetyl-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide?
N-[3-acetyl-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide has a molecular weight of 444.50 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide is sourced from PubChem (CID 22313733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).