N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide

C23H33N3O4 — CID 46492636

IUPACN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(OC(C)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)ccc1C(C)C
InChIInChI=1S/C23H33N3O4/c1-15(2)19-9-8-18(14-16(19)3)30-17(4)20(27)24-12-7-13-26-21(28)23(25-22(26)29)10-5-6-11-23/h8-9,14-15,17H,5-7,10-13H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyIJJKWGYDXAABFG-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.26
Rot. Bonds8

About N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide

N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide (PubChem CID 46492636) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
PubChem CID46492636
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC NameN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(OC(C)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)ccc1C(C)C
InChIInChI=1S/C23H33N3O4/c1-15(2)19-9-8-18(14-16(19)3)30-17(4)20(27)24-12-7-13-26-21(28)23(25-22(26)29)10-5-6-11-23/h8-9,14-15,17H,5-7,10-13H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyIJJKWGYDXAABFG-UHFFFAOYSA-N
XLogP3.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42988993
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-ethoxybenzamide
CID 41491110
N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119504142
N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 119385381
3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propylcarbamoylamino]-N,N,4-trimethylbenzamide
CID 51116578
N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide
CID 55805598
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-phenoxybenzamide
CID 41491009
1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[(1R)-1-phenylethyl]urea
CID 51726491
1-[3-(difluoromethoxy)phenyl]-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea
CID 47039464
2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 132651642
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119559244
5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42976368

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide (CID 46492636) is N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide is Cc1cc(OC(C)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)ccc1C(C)C.
What is the InChIKey of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The InChIKey is IJJKWGYDXAABFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-15(2)19-9-8-18(14-16(19)3)30-17(4)20(27)24-12-7-13-26-21(28)23(25-22(26)29)10-5-6-11-23/h8-9,14-15,17H,5-7,10-13H2,1-4H3,(H,24,27)(H,25,29).
What are the key properties of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide has a molecular weight of 415.53 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 46492636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).