4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C20H27FN2O3 — CID 71955974

IUPAC4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCCNC(=O)C1COC2(CCC(C)CC2)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C20H27FN2O3/c1-3-11-22-18(24)17-13-26-20(9-7-14(2)8-10-20)23(17)19(25)15-5-4-6-16(21)12-15/h4-6,12,14,17H,3,7-11,13H2,1-2H3,(H,22,24)
InChIKeyALZFAJZSSAGMSY-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.10
Rot. Bonds4

About 4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 71955974) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID71955974
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Name4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCCNC(=O)C1COC2(CCC(C)CC2)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C20H27FN2O3/c1-3-11-22-18(24)17-13-26-20(9-7-14(2)8-10-20)23(17)19(25)15-5-4-6-16(21)12-15/h4-6,12,14,17H,3,7-11,13H2,1-2H3,(H,22,24)
InChIKeyALZFAJZSSAGMSY-UHFFFAOYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(2R)-butan-2-yl]-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 93144489
(3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138692
(3R)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138542
4-(3,5-difluorobenzoyl)-N-(2-methoxyethyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71830358
(3R)-4-(3,5-difluorobenzoyl)-N-(2-methoxyethyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 93144270
4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 42882209
8-(4-ethylbenzoyl)-4-(3-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71956660
(3S)-4-(3-methoxybenzoyl)-8-propanoyl-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478249
(3S)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138533
(3R)-8-ethyl-4-(3-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658196
(3R)-4-(3,5-difluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657947
N-tert-butyl-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110649

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 71955974) is 4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CCCNC(=O)C1COC2(CCC(C)CC2)N1C(=O)c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is ALZFAJZSSAGMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3/c1-3-11-22-18(24)17-13-26-20(9-7-14(2)8-10-20)23(17)19(25)15-5-4-6-16(21)12-15/h4-6,12,14,17H,3,7-11,13H2,1-2H3,(H,22,24).
What are the key properties of 4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 71955974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).