3-[2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C15H18N4O5 — CID 72935084

IUPAC3-[2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)N1CCCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C15H18N4O5/c20-12-8-16-15(23)19(12)9-13(21)17-3-1-4-18(6-5-17)14(22)11-2-7-24-10-11/h2,7,10H,1,3-6,8-9H2,(H,16,23)
InChIKeyHPZINCKYUCIJLR-UHFFFAOYSA-N
MW334.33 g/mol
LogP-0.49
Rot. Bonds3

About 3-[2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

3-[2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 72935084) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 3-[2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID72935084
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Name3-[2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)N1CCCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C15H18N4O5/c20-12-8-16-15(23)19(12)9-13(21)17-3-1-4-18(6-5-17)14(22)11-2-7-24-10-11/h2,7,10H,1,3-6,8-9H2,(H,16,23)
InChIKeyHPZINCKYUCIJLR-UHFFFAOYSA-N
XLogP-0.49
TPSA103.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

N-(2-oxo-2-piperidin-1-ylethyl)furan-3-carboxamide
CID 45883933
(4R)-N,N-diethyl-4-(3-furoylamino)-1-methyl-L-prolinamide
CID 72875045
2-ethyl-10-(furan-3-carbonyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 118739534
1-[2-[2-(Furan-3-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 172433758
5-[4-[2-(Furan-3-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]butyl]imidazolidine-2,4-dione
CID 172434054
1-(Furan-3-carbonyl)-1,4-diazepane
CID 16772381
N-Butyl-3-[1-(furan-3-YL)-N-(3-methoxypropyl)formamido]propanamide
CID 3449289
3-[N-Butyl-1-(furan-3-YL)formamido]-N-(3-methoxypropyl)propanamide
CID 4686339
5-{[(2S)-1-(3-furylcarbonyl)tetrahydro-1H-pyrrol-2-yl]carbonyl}-1,5-diazacycloundecan-2-one
CID 110201454
1-(Furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203600
3-[N-Ethyl-1-(furan-3-YL)formamido]-N-(3-methoxypropyl)propanamide
CID 3601429
N-[3-(2-oxopyrrolidin-1-yl)propyl]furan-3-carboxamide
CID 43034826

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 72935084) is 3-[2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is O=C(CN1C(=O)CNC1=O)N1CCCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 3-[2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is HPZINCKYUCIJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5/c20-12-8-16-15(23)19(12)9-13(21)17-3-1-4-18(6-5-17)14(22)11-2-7-24-10-11/h2,7,10H,1,3-6,8-9H2,(H,16,23).
What are the key properties of 3-[2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 334.33 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 72935084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).