N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide

C28H32N2O4 — CID 45172256

IUPACN-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide
SMILESCc1ccc2c(CC(=O)NCC3CCC4(CCN(Cc5ccccc5)CC4)O3)cc(=O)oc2c1
InChIInChI=1S/C28H32N2O4/c1-20-7-8-24-22(17-27(32)33-25(24)15-20)16-26(31)29-18-23-9-10-28(34-23)11-13-30(14-12-28)19-21-5-3-2-4-6-21/h2-8,15,17,23H,9-14,16,18-19H2,1H3,(H,29,31)
InChIKeyZNETWMXJRQNFFL-UHFFFAOYSA-N
MW460.57 g/mol
LogP3.97
Rot. Bonds6

About N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide

N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide (PubChem CID 45172256) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide.

Molecular Properties

Compound NameN-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide
PubChem CID45172256
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC NameN-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide
SMILESCc1ccc2c(CC(=O)NCC3CCC4(CCN(Cc5ccccc5)CC4)O3)cc(=O)oc2c1
InChIInChI=1S/C28H32N2O4/c1-20-7-8-24-22(17-27(32)33-25(24)15-20)16-26(31)29-18-23-9-10-28(34-23)11-13-30(14-12-28)19-21-5-3-2-4-6-21/h2-8,15,17,23H,9-14,16,18-19H2,1H3,(H,29,31)
InChIKeyZNETWMXJRQNFFL-UHFFFAOYSA-N
XLogP3.97
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 45170967
2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide
CID 41180238
N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42273015
2-(3-fluorophenyl)-N-[[(2R)-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 125161801
4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide
CID 45242799
(2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide
CID 42343316
3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 118755019
N-(4,4-difluorocyclohexyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 171909746
N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 42341477
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
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 171385232
2-methyl-N-[[(2R)-8-(naphthalen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
CID 42370794

Frequently Asked Questions

What is the IUPAC name of N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide?
The IUPAC name of N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide (CID 45172256) is N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide.
What is the SMILES notation for N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide?
The canonical SMILES for N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide is Cc1ccc2c(CC(=O)NCC3CCC4(CCN(Cc5ccccc5)CC4)O3)cc(=O)oc2c1.
What is the InChIKey of N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide?
The InChIKey is ZNETWMXJRQNFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-20-7-8-24-22(17-27(32)33-25(24)15-20)16-26(31)29-18-23-9-10-28(34-23)11-13-30(14-12-28)19-21-5-3-2-4-6-21/h2-8,15,17,23H,9-14,16,18-19H2,1H3,(H,29,31).
What are the key properties of N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide?
N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide has a molecular weight of 460.57 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide is sourced from PubChem (CID 45172256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).