N-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide

C19H26FN3O3 — CID 154817071

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide
SMILESO=C1CCOC2(CCN(CC(=O)NCCc3ccc(F)cc3)CC2)CN1
InChIInChI=1S/C19H26FN3O3/c20-16-3-1-15(2-4-16)5-9-21-18(25)13-23-10-7-19(8-11-23)14-22-17(24)6-12-26-19/h1-4H,5-14H2,(H,21,25)(H,22,24)
InChIKeySTSDZSQAHVSJHU-UHFFFAOYSA-N
MW363.43 g/mol
LogP0.86
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide

N-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide (PubChem CID 154817071) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide
PubChem CID154817071
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide
SMILESO=C1CCOC2(CCN(CC(=O)NCCc3ccc(F)cc3)CC2)CN1
InChIInChI=1S/C19H26FN3O3/c20-16-3-1-15(2-4-16)5-9-21-18(25)13-23-10-7-19(8-11-23)14-22-17(24)6-12-26-19/h1-4H,5-14H2,(H,21,25)(H,22,24)
InChIKeySTSDZSQAHVSJHU-UHFFFAOYSA-N
XLogP0.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
N-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide
CID 97119496
N-[2-(4-fluorophenyl)ethyl]-2-(3-hydroxy-3-phenylpyrrolidin-1-yl)acetamide
CID 50960793
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8531156
N-[2-(4-fluorophenyl)ethyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide
CID 136563031
N-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]acetamide
CID 97152546
N-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 34608906
(3aR,7aR)-2-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154811679
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389
N-[2-(4-fluorophenyl)ethyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 36852770
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 37192477

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide (CID 154817071) is N-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide is O=C1CCOC2(CCN(CC(=O)NCCc3ccc(F)cc3)CC2)CN1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide?
The InChIKey is STSDZSQAHVSJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c20-16-3-1-15(2-4-16)5-9-21-18(25)13-23-10-7-19(8-11-23)14-22-17(24)6-12-26-19/h1-4H,5-14H2,(H,21,25)(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide has a molecular weight of 363.43 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide is sourced from PubChem (CID 154817071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).