(3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C21H29FN2O4 — CID 93019292

IUPAC(3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCOCCCNC(=O)[C@H]1COC2(CCC(C)CC2)N1C(=O)c1ccccc1F
InChIInChI=1S/C21H29FN2O4/c1-15-8-10-21(11-9-15)24(20(26)16-6-3-4-7-17(16)22)18(14-28-21)19(25)23-12-5-13-27-2/h3-4,6-7,15,18H,5,8-14H2,1-2H3,(H,23,25)/t15?,18-,21?/m1/s1
InChIKeySHDKUAMDYWAYIN-BPVAQJAMSA-N
MW392.47 g/mol
LogP2.73
Rot. Bonds6

About (3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

(3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 93019292) has the molecular formula C21H29FN2O4 and a molecular weight of 392.47 g/mol. Its IUPAC name is (3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID93019292
Molecular FormulaC21H29FN2O4
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name(3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCOCCCNC(=O)[C@H]1COC2(CCC(C)CC2)N1C(=O)c1ccccc1F
InChIInChI=1S/C21H29FN2O4/c1-15-8-10-21(11-9-15)24(20(26)16-6-3-4-7-17(16)22)18(14-28-21)19(25)23-12-5-13-27-2/h3-4,6-7,15,18H,5,8-14H2,1-2H3,(H,23,25)/t15?,18-,21?/m1/s1
InChIKeySHDKUAMDYWAYIN-BPVAQJAMSA-N
XLogP2.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-4-(3,5-difluorobenzoyl)-N-(2-methoxyethyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 93144270
4-(3,5-difluorobenzoyl)-N-(2-methoxyethyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71830358
(3R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 98640129
4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110816
(3R,5S,7R)-N-benzyl-4-(2-fluorobenzoyl)-7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 98405136
1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide
CID 46110821
4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71955974
(3S)-4-benzoyl-8-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137389
[(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 93019308
(3R,5R,7R)-4-(2-fluorobenzoyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 129423276
(3S)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138533
(3S)-8-methyl-N-(pyridin-3-ylmethyl)-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 93136672

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 93019292) is (3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is COCCCNC(=O)[C@H]1COC2(CCC(C)CC2)N1C(=O)c1ccccc1F.
What is the InChIKey of (3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is SHDKUAMDYWAYIN-BPVAQJAMSA-N. The full InChI is InChI=1S/C21H29FN2O4/c1-15-8-10-21(11-9-15)24(20(26)16-6-3-4-7-17(16)22)18(14-28-21)19(25)23-12-5-13-27-2/h3-4,6-7,15,18H,5,8-14H2,1-2H3,(H,23,25)/t15?,18-,21?/m1/s1.
What are the key properties of (3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
(3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 392.47 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 93019292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).