(Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide

C27H30N4O4 — CID 74227630

IUPAC(Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide
SMILESCn1c(C(=O)N2CCC3(CCN(C(=O)CNC(=O)/C=C\c4ccco4)C3)CC2)cc2ccccc21
InChIInChI=1S/C27H30N4O4/c1-29-22-7-3-2-5-20(22)17-23(29)26(34)30-13-10-27(11-14-30)12-15-31(19-27)25(33)18-28-24(32)9-8-21-6-4-16-35-21/h2-9,16-17H,10-15,18-19H2,1H3,(H,28,32)/b9-8-
InChIKeyWEGCUQBCMLZRIK-HJWRWDBZSA-N
MW474.56 g/mol
LogP3.06
Rot. Bonds5

About (Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide

(Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide (PubChem CID 74227630) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is (Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide
PubChem CID74227630
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name(Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide
SMILESCn1c(C(=O)N2CCC3(CCN(C(=O)CNC(=O)/C=C\c4ccco4)C3)CC2)cc2ccccc21
InChIInChI=1S/C27H30N4O4/c1-29-22-7-3-2-5-20(22)17-23(29)26(34)30-13-10-27(11-14-30)12-15-31(19-27)25(33)18-28-24(32)9-8-21-6-4-16-35-21/h2-9,16-17H,10-15,18-19H2,1H3,(H,28,32)/b9-8-
InChIKeyWEGCUQBCMLZRIK-HJWRWDBZSA-N
XLogP3.06
TPSA87.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide with MolForge

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Related Compounds

3-(furan-2-yl)-N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide
CID 3720246
3-(furan-2-yl)-N-[2-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide
CID 3507631
methyl (2S)-2-acetamido-4-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate
CID 74229279
1-methyl-3-[3-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinoxalin-2-one
CID 3874882
1-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylethanone
CID 3857731
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
4-methyl-7-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethoxy]chromen-2-one
CID 3630582
(1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 5174174
3-methyl-1-(1-methylindole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256327
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 40658895
(1-methylindol-2-yl)-[2-(4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 3411368
N-[4-methyl-5-[[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide
CID 3831876

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide?
The IUPAC name of (Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide (CID 74227630) is (Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for (Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide is Cn1c(C(=O)N2CCC3(CCN(C(=O)CNC(=O)/C=C\c4ccco4)C3)CC2)cc2ccccc21.
What is the InChIKey of (Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide?
The InChIKey is WEGCUQBCMLZRIK-HJWRWDBZSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-29-22-7-3-2-5-20(22)17-23(29)26(34)30-13-10-27(11-14-30)12-15-31(19-27)25(33)18-28-24(32)9-8-21-6-4-16-35-21/h2-9,16-17H,10-15,18-19H2,1H3,(H,28,32)/b9-8-.
What are the key properties of (Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide?
(Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide has a molecular weight of 474.56 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 74227630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).