2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide

C23H28N4O4 — CID 110211965

IUPAC2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide
SMILESCC(CCc1ccco1)NC(=O)CN1CCC2(CCC1=O)NC(=O)c1ccccc1N2
InChIInChI=1S/C23H28N4O4/c1-16(8-9-17-5-4-14-31-17)24-20(28)15-27-13-12-23(11-10-21(27)29)25-19-7-3-2-6-18(19)22(30)26-23/h2-7,14,16,25H,8-13,15H2,1H3,(H,24,28)(H,26,30)
InChIKeyHXAUERZCWKMSKL-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.28
Rot. Bonds6

About 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide

2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide (PubChem CID 110211965) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide
PubChem CID110211965
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide
SMILESCC(CCc1ccco1)NC(=O)CN1CCC2(CCC1=O)NC(=O)c1ccccc1N2
InChIInChI=1S/C23H28N4O4/c1-16(8-9-17-5-4-14-31-17)24-20(28)15-27-13-12-23(11-10-21(27)29)25-19-7-3-2-6-18(19)22(30)26-23/h2-7,14,16,25H,8-13,15H2,1H3,(H,24,28)(H,26,30)
InChIKeyHXAUERZCWKMSKL-UHFFFAOYSA-N
XLogP2.28
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 95792986
ethyl 2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]acetate
CID 51595581
N-[4-(furan-2-yl)butan-2-yl]-2-piperazin-1-ylacetamide
CID 61249923
ethyl (2S)-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]propanoate
CID 95793434
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
1'-(1-oxo-1-piperidin-1-ylpropan-2-yl)spiro[1,3-dihydroquinazoline-2,5'-azepane]-2',4-dione
CID 110212312
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]acetamide
CID 97424970
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292
2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 110212353
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41112894

Frequently Asked Questions

What is the IUPAC name of 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide (CID 110211965) is 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide is CC(CCc1ccco1)NC(=O)CN1CCC2(CCC1=O)NC(=O)c1ccccc1N2.
What is the InChIKey of 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
The InChIKey is HXAUERZCWKMSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-16(8-9-17-5-4-14-31-17)24-20(28)15-27-13-12-23(11-10-21(27)29)25-19-7-3-2-6-18(19)22(30)26-23/h2-7,14,16,25H,8-13,15H2,1H3,(H,24,28)(H,26,30).
What are the key properties of 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide has a molecular weight of 424.50 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide is sourced from PubChem (CID 110211965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).