2-[2-(3-fluorophenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C20H27FN2O3 — CID 118739582

IUPAC2-[2-(3-fluorophenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)Cc2cccc(F)c2)CC12CCOCC2
InChIInChI=1S/C20H27FN2O3/c1-14(2)22-19(25)17-12-23(13-20(17)6-8-26-9-7-20)18(24)11-15-4-3-5-16(21)10-15/h3-5,10,14,17H,6-9,11-13H2,1-2H3,(H,22,25)
InChIKeyMBCLWEOQYZXNKR-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.15
Rot. Bonds4

About 2-[2-(3-fluorophenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-[2-(3-fluorophenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 118739582) has the molecular formula C20H27FN2O3 and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID118739582
Molecular FormulaC20H27FN2O3
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name2-[2-(3-fluorophenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)Cc2cccc(F)c2)CC12CCOCC2
InChIInChI=1S/C20H27FN2O3/c1-14(2)22-19(25)17-12-23(13-20(17)6-8-26-9-7-20)18(24)11-15-4-3-5-16(21)10-15/h3-5,10,14,17H,6-9,11-13H2,1-2H3,(H,22,25)
InChIKeyMBCLWEOQYZXNKR-UHFFFAOYSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-3-amino-1-((S)-2-((cyclopropylmethoxy)methyl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45270115
N2-[(4-Fluorophenyl)methyl]-N4,N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91924909
1-[2-Cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-2-(3-fluorophenyl)-1-ethanone
CID 91922180
1-[2-Cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-2-(2-fluorophenyl)-1-ethanone
CID 91922187
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-phenyloxane-4-carboxamide
CID 53542488
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 56790222
1-(4-fluorophenyl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 56820349
7-{[4-(4-fluorophenyl)tetrahydro-2H-pyran-4-yl]carbonyl}-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70720366
(3S*,4R*)-1-{[4-(4-fluorophenyl)tetrahydro-2H-pyran-4-yl]carbonyl}-N,N-dimethyl-4-propyl-3-pyrrolidinamine
CID 70741258
2-[2-(4-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide
CID 71836669
2-[2-(3-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide
CID 71836670
N-cyclopropyl-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide
CID 71956170

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-[2-(3-fluorophenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 118739582) is 2-[2-(3-fluorophenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CC(C)NC(=O)C1CN(C(=O)Cc2cccc(F)c2)CC12CCOCC2.
What is the InChIKey of 2-[2-(3-fluorophenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is MBCLWEOQYZXNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3/c1-14(2)22-19(25)17-12-23(13-20(17)6-8-26-9-7-20)18(24)11-15-4-3-5-16(21)10-15/h3-5,10,14,17H,6-9,11-13H2,1-2H3,(H,22,25).
What are the key properties of 2-[2-(3-fluorophenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-[2-(3-fluorophenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 118739582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).