N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

C19H23F2N3O5 — CID 9262049

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESCOc1cc(CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)ccc1OC(F)F
InChIInChI=1S/C19H23F2N3O5/c1-28-14-10-12(4-5-13(14)29-17(20)21)11-22-15(25)6-9-24-16(26)19(23-18(24)27)7-2-3-8-19/h4-5,10,17H,2-3,6-9,11H2,1H3,(H,22,25)(H,23,27)
InChIKeyNDPOGUHUMWUFMX-UHFFFAOYSA-N
MW411.41 g/mol
LogP2.17
Rot. Bonds8

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (PubChem CID 9262049) has the molecular formula C19H23F2N3O5 and a molecular weight of 411.41 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
PubChem CID9262049
Molecular FormulaC19H23F2N3O5
Molecular Weight411.41 g/mol
Exact Mass411.16
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESCOc1cc(CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)ccc1OC(F)F
InChIInChI=1S/C19H23F2N3O5/c1-28-14-10-12(4-5-13(14)29-17(20)21)11-22-15(25)6-9-24-16(26)19(23-18(24)27)7-2-3-8-19/h4-5,10,17H,2-3,6-9,11H2,1H3,(H,22,25)(H,23,27)
InChIKeyNDPOGUHUMWUFMX-UHFFFAOYSA-N
XLogP2.17
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide
CID 27865933
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
CID 9261752
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 17426445
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
CID 55638303
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide
CID 38385652
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[4-(methoxymethyl)phenyl]methyl]butanamide
CID 55615122
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017557
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 9452818
N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 31552261
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dimethylphenyl)propanamide
CID 36937319
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 32609722

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (CID 9262049) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is COc1cc(CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The InChIKey is NDPOGUHUMWUFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O5/c1-28-14-10-12(4-5-13(14)29-17(20)21)11-22-15(25)6-9-24-16(26)19(23-18(24)27)7-2-3-8-19/h4-5,10,17H,2-3,6-9,11H2,1H3,(H,22,25)(H,23,27).
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide has a molecular weight of 411.41 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is sourced from PubChem (CID 9262049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).