1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea

C17H28N4O3 — CID 47012814

IUPAC1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea
SMILESO=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NC1CCCCC1
InChIInChI=1S/C17H28N4O3/c22-14-17(9-4-5-10-17)20-16(24)21(14)12-6-11-18-15(23)19-13-7-2-1-3-8-13/h13H,1-12H2,(H,20,24)(H2,18,19,23)
InChIKeyBTSZPWCYQORAKT-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.87
Rot. Bonds5

About 1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea

1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea (PubChem CID 47012814) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea
PubChem CID47012814
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea
SMILESO=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NC1CCCCC1
InChIInChI=1S/C17H28N4O3/c22-14-17(9-4-5-10-17)20-16(24)21(14)12-6-11-18-15(23)19-13-7-2-1-3-8-13/h13H,1-12H2,(H,20,24)(H2,18,19,23)
InChIKeyBTSZPWCYQORAKT-UHFFFAOYSA-N
XLogP1.87
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-[3-(cyclohexylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 55952841
N-cycloheptyl-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 51138945
N-[2-(cycloheptylamino)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119619852
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 9061312
(2S)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 51962435
(3R)-1-cyclopropyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 36868629
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 124725635
1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[(1R)-1-phenylethyl]urea
CID 51726491
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509729
3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 62019381
2-bromo-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]benzamide
CID 41490966
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-ethoxybenzamide
CID 41491110

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea (CID 47012814) is 1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea is O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea?
The InChIKey is BTSZPWCYQORAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c22-14-17(9-4-5-10-17)20-16(24)21(14)12-6-11-18-15(23)19-13-7-2-1-3-8-13/h13H,1-12H2,(H,20,24)(H2,18,19,23).
What are the key properties of 1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea?
1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea has a molecular weight of 336.44 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea is sourced from PubChem (CID 47012814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).