4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide

C19H22N4O4 — CID 17413483

IUPAC4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
SMILESCc1nc2cc(NC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)ccc2o1
InChIInChI=1S/C19H22N4O4/c1-12-20-14-11-13(6-7-15(14)27-12)21-16(24)5-4-10-23-17(25)19(22-18(23)26)8-2-3-9-19/h6-7,11H,2-5,8-10H2,1H3,(H,21,24)(H,22,26)
InChIKeyHYFPDDUQIODRQO-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.72
Rot. Bonds5

About 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide (PubChem CID 17413483) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
PubChem CID17413483
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
SMILESCc1nc2cc(NC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)ccc2o1
InChIInChI=1S/C19H22N4O4/c1-12-20-14-11-13(6-7-15(14)27-12)21-16(24)5-4-10-23-17(25)19(22-18(23)26)8-2-3-9-19/h6-7,11H,2-5,8-10H2,1H3,(H,21,24)(H,22,26)
InChIKeyHYFPDDUQIODRQO-UHFFFAOYSA-N
XLogP2.72
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.72
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

N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9450990
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 51187320
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide
CID 18151070
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 8534304
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide
CID 8732916
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 18151188
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-7-ylbutanamide
CID 166280199
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 40856002
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17446472
N-(2-methyl-1,3-benzoxazol-5-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 37040540
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N'-[2-(4-methylanilino)acetyl]butanehydrazide
CID 55377513

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide?
The IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide (CID 17413483) is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide?
The canonical SMILES for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide is Cc1nc2cc(NC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)ccc2o1.
What is the InChIKey of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide?
The InChIKey is HYFPDDUQIODRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-12-20-14-11-13(6-7-15(14)27-12)21-16(24)5-4-10-23-17(25)19(22-18(23)26)8-2-3-9-19/h6-7,11H,2-5,8-10H2,1H3,(H,21,24)(H,22,26).
What are the key properties of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide?
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide has a molecular weight of 370.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide is sourced from PubChem (CID 17413483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).