4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]butanamide

C19H30N4O4 — CID 55688364

IUPAC4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]butanamide
SMILESO=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCCN1CCCCCC1=O
InChIInChI=1S/C19H30N4O4/c24-15(20-11-14-22-12-5-1-2-8-16(22)25)7-6-13-23-17(26)19(21-18(23)27)9-3-4-10-19/h1-14H2,(H,20,24)(H,21,27)
InChIKeyOZLCQSHVASRRLZ-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.15
Rot. Bonds7

About 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]butanamide

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]butanamide (PubChem CID 55688364) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]butanamide
PubChem CID55688364
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]butanamide
SMILESO=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCCN1CCCCCC1=O
InChIInChI=1S/C19H30N4O4/c24-15(20-11-14-22-12-5-1-2-8-16(22)25)7-6-13-23-17(26)19(21-18(23)27)9-3-4-10-19/h1-14H2,(H,20,24)(H,21,27)
InChIKeyOZLCQSHVASRRLZ-UHFFFAOYSA-N
XLogP1.15
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclohexylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 55952841
N-(2-aminoethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 82149063
N-[(1-methylcyclopentyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131926304
N-[2-(cycloheptylamino)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119619852
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 18151188
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 62019381
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[4-(methoxymethyl)phenyl]methyl]butanamide
CID 55615122
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 8589612
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide
CID 119506024
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18162292
N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 9453956

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]butanamide?
The IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]butanamide (CID 55688364) is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]butanamide?
The canonical SMILES for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]butanamide is O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCCN1CCCCCC1=O.
What is the InChIKey of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]butanamide?
The InChIKey is OZLCQSHVASRRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c24-15(20-11-14-22-12-5-1-2-8-16(22)25)7-6-13-23-17(26)19(21-18(23)27)9-3-4-10-19/h1-14H2,(H,20,24)(H,21,27).
What are the key properties of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]butanamide?
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]butanamide has a molecular weight of 378.47 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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-(2-oxoazepan-1-yl)ethyl]butanamide is sourced from PubChem (CID 55688364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).