(3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C26H30FN3O5 — CID 93138692

IUPAC(3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCNC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(F)c3)CC2)N1C(=O)c1cccc(OC)c1
InChIInChI=1S/C26H30FN3O5/c1-3-12-28-23(31)22-17-35-26(30(22)25(33)19-7-5-9-21(16-19)34-2)10-13-29(14-11-26)24(32)18-6-4-8-20(27)15-18/h4-9,15-16,22H,3,10-14,17H2,1-2H3,(H,28,31)/t22-/m1/s1
InChIKeyUJIZWHBQIIDMEZ-JOCHJYFZSA-N
MW483.54 g/mol
LogP2.83
Rot. Bonds6

About (3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 93138692) has the molecular formula C26H30FN3O5 and a molecular weight of 483.54 g/mol. Its IUPAC name is (3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID93138692
Molecular FormulaC26H30FN3O5
Molecular Weight483.54 g/mol
Exact Mass483.22
IUPAC Name(3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCNC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(F)c3)CC2)N1C(=O)c1cccc(OC)c1
InChIInChI=1S/C26H30FN3O5/c1-3-12-28-23(31)22-17-35-26(30(22)25(33)19-7-5-9-21(16-19)34-2)10-13-29(14-11-26)24(32)18-6-4-8-20(27)15-18/h4-9,15-16,22H,3,10-14,17H2,1-2H3,(H,28,31)/t22-/m1/s1
InChIKeyUJIZWHBQIIDMEZ-JOCHJYFZSA-N
XLogP2.83
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-(3-methoxybenzoyl)-8-propanoyl-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478249
(3S)-8-(3-fluorobenzoyl)-N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138681
(3R)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138542
4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71955974
(3S)-8-(4-chlorobenzoyl)-4-(3-methoxybenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138693
(3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136825
8-(4-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 46141232
8-(4-ethylbenzoyl)-4-(3-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71956660
(3S)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138533
(3S)-N-[2-(dimethylamino)ethyl]-8-(3-methoxybenzoyl)-4-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138103
(3R)-N-benzyl-8-(3-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138038
N-butan-2-yl-8-(3-methoxybenzoyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71955315

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 93138692) is (3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is CCCNC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(F)c3)CC2)N1C(=O)c1cccc(OC)c1.
What is the InChIKey of (3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is UJIZWHBQIIDMEZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H30FN3O5/c1-3-12-28-23(31)22-17-35-26(30(22)25(33)19-7-5-9-21(16-19)34-2)10-13-29(14-11-26)24(32)18-6-4-8-20(27)15-18/h4-9,15-16,22H,3,10-14,17H2,1-2H3,(H,28,31)/t22-/m1/s1.
What are the key properties of (3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 483.54 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 93138692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).