13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one

C19H25N3O4 — CID 131644960

IUPAC13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
SMILESCC(=O)N1CC2(CCN(C(=O)c3ccco3)CC2)C2(CCN(C)C2=O)C1
InChIInChI=1S/C19H25N3O4/c1-14(23)22-12-18(19(13-22)7-8-20(2)17(19)25)5-9-21(10-6-18)16(24)15-4-3-11-26-15/h3-4,11H,5-10,12-13H2,1-2H3
InChIKeyFWLVIHDXICQMDA-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.21
Rot. Bonds1

About 13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one

13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one (PubChem CID 131644960) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one.

Molecular Properties

Compound Name13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
PubChem CID131644960
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
SMILESCC(=O)N1CC2(CCN(C(=O)c3ccco3)CC2)C2(CCN(C)C2=O)C1
InChIInChI=1S/C19H25N3O4/c1-14(23)22-12-18(19(13-22)7-8-20(2)17(19)25)5-9-21(10-6-18)16(24)15-4-3-11-26-15/h3-4,11H,5-10,12-13H2,1-2H3
InChIKeyFWLVIHDXICQMDA-UHFFFAOYSA-N
XLogP1.21
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one 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

13-acetyl-3-ethyl-9-(furan-2-carbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 131656140
(5R)-9-(furan-2-carbonyl)-3-methyl-13-pyrimidin-2-yl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360392
(5R)-3-ethyl-9-(furan-2-carbonyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
CID 97360616
13-acetyl-9-(2-methoxyacetyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 131640247
8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27377648
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
8-(furan-2-carbonyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109531
(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020168
azepan-1-yl(furan-2-yl)methanone
CID 5200992
9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373327
(3aS,6aS)-2-acetyl-1'-(furan-2-carbonyl)-N-methylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
CID 97360301

Frequently Asked Questions

What is the IUPAC name of 13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The IUPAC name of 13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one (CID 131644960) is 13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one.
What is the SMILES notation for 13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The canonical SMILES for 13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one is CC(=O)N1CC2(CCN(C(=O)c3ccco3)CC2)C2(CCN(C)C2=O)C1.
What is the InChIKey of 13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The InChIKey is FWLVIHDXICQMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-14(23)22-12-18(19(13-22)7-8-20(2)17(19)25)5-9-21(10-6-18)16(24)15-4-3-11-26-15/h3-4,11H,5-10,12-13H2,1-2H3.
What are the key properties of 13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one has a molecular weight of 359.43 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one is sourced from PubChem (CID 131644960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).