1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea

C14H18N4O4 — CID 86769507

IUPAC1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)NCC1CCCC12NC(=O)NC2=O
InChIInChI=1S/C14H18N4O4/c19-11-14(18-13(21)17-11)5-1-3-9(14)7-15-12(20)16-8-10-4-2-6-22-10/h2,4,6,9H,1,3,5,7-8H2,(H2,15,16,20)(H2,17,18,19,21)
InChIKeyUSZLQXWLHUZDKG-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.46
Rot. Bonds4

About 1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea

1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea (PubChem CID 86769507) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea
PubChem CID86769507
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)NCC1CCCC12NC(=O)NC2=O
InChIInChI=1S/C14H18N4O4/c19-11-14(18-13(21)17-11)5-1-3-9(14)7-15-12(20)16-8-10-4-2-6-22-10/h2,4,6,9H,1,3,5,7-8H2,(H2,15,16,20)(H2,17,18,19,21)
InChIKeyUSZLQXWLHUZDKG-UHFFFAOYSA-N
XLogP0.46
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235911
1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117235917
4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525527
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496
1-(furan-2-ylmethyl)-3-piperidin-3-ylurea
CID 117235907
2-amino-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 64816984
6-(furan-2-ylmethylcarbamoylamino)hexanoic acid
CID 61188617
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
N-(furan-2-ylmethyl)-2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 134025362

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea (CID 86769507) is 1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea is O=C(NCc1ccco1)NCC1CCCC12NC(=O)NC2=O.
What is the InChIKey of 1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea?
The InChIKey is USZLQXWLHUZDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c19-11-14(18-13(21)17-11)5-1-3-9(14)7-15-12(20)16-8-10-4-2-6-22-10/h2,4,6,9H,1,3,5,7-8H2,(H2,15,16,20)(H2,17,18,19,21).
What are the key properties of 1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea?
1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea has a molecular weight of 306.32 g/mol, XLogP of 0.46, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 86769507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).