2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide

C21H29N3O4 — CID 4964233

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)N2C(=O)NC3(CCCCCCC3)C2=O)cc1
InChIInChI=1S/C21H29N3O4/c1-15(18(25)22-14-16-8-10-17(28-2)11-9-16)24-19(26)21(23-20(24)27)12-6-4-3-5-7-13-21/h8-11,15H,3-7,12-14H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyXIZRUGOQUBOQKV-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.73
Rot. Bonds5

About 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 4964233) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID4964233
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)N2C(=O)NC3(CCCCCCC3)C2=O)cc1
InChIInChI=1S/C21H29N3O4/c1-15(18(25)22-14-16-8-10-17(28-2)11-9-16)24-19(26)21(23-20(24)27)12-6-4-3-5-7-13-21/h8-11,15H,3-7,12-14H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyXIZRUGOQUBOQKV-UHFFFAOYSA-N
XLogP2.73
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide (CID 4964233) is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)C(C)N2C(=O)NC3(CCCCCCC3)C2=O)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is XIZRUGOQUBOQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-15(18(25)22-14-16-8-10-17(28-2)11-9-16)24-19(26)21(23-20(24)27)12-6-4-3-5-7-13-21/h8-11,15H,3-7,12-14H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 387.48 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 4964233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).