(Z)-2-fluoro-3-phenyl-N-[[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide

C26H29FN2O3 — CID 126462590

IUPAC(Z)-2-fluoro-3-phenyl-N-[[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide
SMILESO=C(NCC1CCC2(CCN(C(=O)Cc3ccccc3)CC2)O1)/C(F)=C/c1ccccc1
InChIInChI=1S/C26H29FN2O3/c27-23(17-20-7-3-1-4-8-20)25(31)28-19-22-11-12-26(32-22)13-15-29(16-14-26)24(30)18-21-9-5-2-6-10-21/h1-10,17,22H,11-16,18-19H2,(H,28,31)/b23-17-
InChIKeyMYGHPVXVHQWCLE-QJOMJCCJSA-N
MW436.53 g/mol
LogP3.90
Rot. Bonds6

About (Z)-2-fluoro-3-phenyl-N-[[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide

(Z)-2-fluoro-3-phenyl-N-[[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide (PubChem CID 126462590) has the molecular formula C26H29FN2O3 and a molecular weight of 436.53 g/mol. Its IUPAC name is (Z)-2-fluoro-3-phenyl-N-[[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-fluoro-3-phenyl-N-[[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide
PubChem CID126462590
Molecular FormulaC26H29FN2O3
Molecular Weight436.53 g/mol
Exact Mass436.22
IUPAC Name(Z)-2-fluoro-3-phenyl-N-[[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide
SMILESO=C(NCC1CCC2(CCN(C(=O)Cc3ccccc3)CC2)O1)/C(F)=C/c1ccccc1
InChIInChI=1S/C26H29FN2O3/c27-23(17-20-7-3-1-4-8-20)25(31)28-19-22-11-12-26(32-22)13-15-29(16-14-26)24(30)18-21-9-5-2-6-10-21/h1-10,17,22H,11-16,18-19H2,(H,28,31)/b23-17-
InChIKeyMYGHPVXVHQWCLE-QJOMJCCJSA-N
XLogP3.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 74610367
N-[[8-(2-naphthalen-2-ylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
CID 45215279
2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 126463646
2-phenyl-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 45170967
N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42440769
N-[[(2R)-8-[2-(3,4,5-trimethoxyphenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
CID 42499867
N-[[8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 118755620
N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 74501803
4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 26344101
2-methyl-N-[[(2S)-8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 42247929
N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-pyridin-2-ylprop-2-enamide
CID 74791922
4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide
CID 45242799

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-phenyl-N-[[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide?
The IUPAC name of (Z)-2-fluoro-3-phenyl-N-[[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide (CID 126462590) is (Z)-2-fluoro-3-phenyl-N-[[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-fluoro-3-phenyl-N-[[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide?
The canonical SMILES for (Z)-2-fluoro-3-phenyl-N-[[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide is O=C(NCC1CCC2(CCN(C(=O)Cc3ccccc3)CC2)O1)/C(F)=C/c1ccccc1.
What is the InChIKey of (Z)-2-fluoro-3-phenyl-N-[[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide?
The InChIKey is MYGHPVXVHQWCLE-QJOMJCCJSA-N. The full InChI is InChI=1S/C26H29FN2O3/c27-23(17-20-7-3-1-4-8-20)25(31)28-19-22-11-12-26(32-22)13-15-29(16-14-26)24(30)18-21-9-5-2-6-10-21/h1-10,17,22H,11-16,18-19H2,(H,28,31)/b23-17-.
What are the key properties of (Z)-2-fluoro-3-phenyl-N-[[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide?
(Z)-2-fluoro-3-phenyl-N-[[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide has a molecular weight of 436.53 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-phenyl-N-[[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 126462590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).