[(1R)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea

C23H25N5O5 — CID 177250747

IUPAC[(1R)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea
SMILESNC(=O)N[C@H](CC(=O)N1CCC2(CC1)NC(=O)NC2=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H25N5O5/c24-21(31)25-18(15-5-4-8-17(13-15)33-16-6-2-1-3-7-16)14-19(29)28-11-9-23(10-12-28)20(30)26-22(32)27-23/h1-8,13,18H,9-12,14H2,(H3,24,25,31)(H2,26,27,30,32)/t18-/m1/s1
InChIKeyUOIWJNLEWUTLOL-GOSISDBHSA-N
MW451.48 g/mol
LogP1.78
Rot. Bonds6

About [(1R)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea

[(1R)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea (PubChem CID 177250747) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is [(1R)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea.

Molecular Properties

Compound Name[(1R)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea
PubChem CID177250747
Molecular FormulaC23H25N5O5
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name[(1R)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea
SMILESNC(=O)N[C@H](CC(=O)N1CCC2(CC1)NC(=O)NC2=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H25N5O5/c24-21(31)25-18(15-5-4-8-17(13-15)33-16-6-2-1-3-7-16)14-19(29)28-11-9-23(10-12-28)20(30)26-22(32)27-23/h1-8,13,18H,9-12,14H2,(H3,24,25,31)(H2,26,27,30,32)/t18-/m1/s1
InChIKeyUOIWJNLEWUTLOL-GOSISDBHSA-N
XLogP1.78
TPSA142.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(1,4-diazepan-1-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea;hydrochloride
CID 119415336
(3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide
CID 9271549
(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 8008898
3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450732
phenacyl (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 8610074
4-amino-1-(4-phenoxyphenyl)piperidine-4-carboxylic acid;8-(4-phenoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 159468173
(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide
CID 9215141
3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide
CID 119430711
N-(1-amino-2-methylpropan-2-yl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide;hydrochloride
CID 119522332
N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119496074
N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119640789
N-[3-(aminomethyl)pentan-3-yl]-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119569555

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea?
The IUPAC name of [(1R)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea (CID 177250747) is [(1R)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea.
What is the SMILES notation for [(1R)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea?
The canonical SMILES for [(1R)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea is NC(=O)N[C@H](CC(=O)N1CCC2(CC1)NC(=O)NC2=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of [(1R)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea?
The InChIKey is UOIWJNLEWUTLOL-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25N5O5/c24-21(31)25-18(15-5-4-8-17(13-15)33-16-6-2-1-3-7-16)14-19(29)28-11-9-23(10-12-28)20(30)26-22(32)27-23/h1-8,13,18H,9-12,14H2,(H3,24,25,31)(H2,26,27,30,32)/t18-/m1/s1.
What are the key properties of [(1R)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea?
[(1R)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea has a molecular weight of 451.48 g/mol, XLogP of 1.78, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea is sourced from PubChem (CID 177250747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).