N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C22H27F2N3O5 — CID 17426445

IUPACN-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1cc(CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C2CC2)ccc1OC(F)F
InChIInChI=1S/C22H27F2N3O5/c1-31-17-11-14(5-8-16(17)32-20(23)24)12-26(15-6-7-15)18(28)13-27-19(29)22(25-21(27)30)9-3-2-4-10-22/h5,8,11,15,20H,2-4,6-7,9-10,12-13H2,1H3,(H,25,30)
InChIKeySWNKEBDLDLWJCF-UHFFFAOYSA-N
MW451.47 g/mol
LogP3.04
Rot. Bonds8

About N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 17426445) has the molecular formula C22H27F2N3O5 and a molecular weight of 451.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID17426445
Molecular FormulaC22H27F2N3O5
Molecular Weight451.47 g/mol
Exact Mass451.19
IUPAC NameN-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1cc(CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C2CC2)ccc1OC(F)F
InChIInChI=1S/C22H27F2N3O5/c1-31-17-11-14(5-8-16(17)32-20(23)24)12-26(15-6-7-15)18(28)13-27-19(29)22(25-21(27)30)9-3-2-4-10-22/h5,8,11,15,20H,2-4,6-7,9-10,12-13H2,1H3,(H,25,30)
InChIKeySWNKEBDLDLWJCF-UHFFFAOYSA-N
XLogP3.04
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 27082474
N-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 17430818
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 9262049
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18169198
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92786673
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methylacetamide
CID 47093751
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide
CID 17406007
3-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17473788
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18201440
N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 55398366
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxy-4-methylbenzamide
CID 18169209
N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18169203

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 17426445) is N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is COc1cc(CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C2CC2)ccc1OC(F)F.
What is the InChIKey of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is SWNKEBDLDLWJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O5/c1-31-17-11-14(5-8-16(17)32-20(23)24)12-26(15-6-7-15)18(28)13-27-19(29)22(25-21(27)30)9-3-2-4-10-22/h5,8,11,15,20H,2-4,6-7,9-10,12-13H2,1H3,(H,25,30).
What are the key properties of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 451.47 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 17426445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).