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

C19H26N4O3 — CID 51726491

IUPAC1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1
InChIInChI=1S/C19H26N4O3/c1-14(15-8-3-2-4-9-15)21-17(25)20-12-7-13-23-16(24)19(22-18(23)26)10-5-6-11-19/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,22,26)(H2,20,21,25)/t14-/m1/s1
InChIKeyNHQZKLIBZSNVIT-CQSZACIVSA-N
MW358.44 g/mol
LogP2.30
Rot. Bonds6

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

1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 51726491) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[(1R)-1-phenylethyl]urea
PubChem CID51726491
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1
InChIInChI=1S/C19H26N4O3/c1-14(15-8-3-2-4-9-15)21-17(25)20-12-7-13-23-16(24)19(22-18(23)26)10-5-6-11-19/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,22,26)(H2,20,21,25)/t14-/m1/s1
InChIKeyNHQZKLIBZSNVIT-CQSZACIVSA-N
XLogP2.30
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.30
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

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671657
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(1-phenylethyl)urea
CID 108889374
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 41144668
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56574911
1-[(1S)-1-phenylethyl]-3-[8-[[(1S)-1-phenylethyl]carbamoylamino]octyl]urea
CID 102519107
N-[1-(4-tert-butylphenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 134043349
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-phenoxybenzamide
CID 41491009
1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea
CID 47012814
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2092207
N-(3,3-dimethyl-1-phenylbutyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55689995
1-[4-(4-methylpiperazin-1-yl)butyl]-3-[(1R)-1-phenylethyl]urea
CID 94813321

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[(1R)-1-phenylethyl]urea (CID 51726491) is 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[(1R)-1-phenylethyl]urea is C[C@@H](NC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1.
What is the InChIKey of 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[(1R)-1-phenylethyl]urea?
The InChIKey is NHQZKLIBZSNVIT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14(15-8-3-2-4-9-15)21-17(25)20-12-7-13-23-16(24)19(22-18(23)26)10-5-6-11-19/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,22,26)(H2,20,21,25)/t14-/m1/s1.
What are the key properties of 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[(1R)-1-phenylethyl]urea?
1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 358.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 51726491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).