(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C25H31N3O3 — CID 164635653

IUPAC(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)N1CC2(CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C25H31N3O3/c1-18(2)28-17-25(23(28)19-6-4-3-5-7-19)10-12-27(13-11-25)24(29)26-20-8-9-21-22(16-20)31-15-14-30-21/h3-9,16,18,23H,10-15,17H2,1-2H3,(H,26,29)/t23-/m1/s1
InChIKeyPOHJIIOAGXZPCK-HSZRJFAPSA-N
MW421.54 g/mol
LogP4.54
Rot. Bonds3

About (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 164635653) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID164635653
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)N1CC2(CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C25H31N3O3/c1-18(2)28-17-25(23(28)19-6-4-3-5-7-19)10-12-27(13-11-25)24(29)26-20-8-9-21-22(16-20)31-15-14-30-21/h3-9,16,18,23H,10-15,17H2,1-2H3,(H,26,29)/t23-/m1/s1
InChIKeyPOHJIIOAGXZPCK-HSZRJFAPSA-N
XLogP4.54
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide with MolForge

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Related Compounds

N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24898115
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-thiazolidine-3-carboxamide
CID 122329146
3-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24899767
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide
CID 115578699
3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24829774
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 71845719
methyl (2S,3S)-2-ethyl-3-methyl-2-[[3-(4-phenylphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]pentanoate
CID 143643957
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105757
(2S)-2-(4-benzoylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide
CID 26038452
[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone
CID 143644213
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107431
2-(2-benzylazetidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 167848545

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 164635653) is (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is CC(C)N1CC2(CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)[C@H]1c1ccccc1.
What is the InChIKey of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is POHJIIOAGXZPCK-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-18(2)28-17-25(23(28)19-6-4-3-5-7-19)10-12-27(13-11-25)24(29)26-20-8-9-21-22(16-20)31-15-14-30-21/h3-9,16,18,23H,10-15,17H2,1-2H3,(H,26,29)/t23-/m1/s1.
What are the key properties of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 164635653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).