7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide

C29H28N2O5 — CID 157375270

IUPAC7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide
SMILESCOc1cccc(-c2cc(C(N)=O)c3c(c2)-c2ccc(C(=O)N4CCC5(CC4)OCCO5)cc2C3)c1
InChIInChI=1S/C29H28N2O5/c1-34-22-4-2-3-18(14-22)20-15-24-23-6-5-19(13-21(23)17-25(24)26(16-20)27(30)32)28(33)31-9-7-29(8-10-31)35-11-12-36-29/h2-6,13-16H,7-12,17H2,1H3,(H2,30,32)
InChIKeyBKGFTKVGHHPJQM-UHFFFAOYSA-N
MW484.55 g/mol
LogP4.01
Rot. Bonds4

About 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide

7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide (PubChem CID 157375270) has the molecular formula C29H28N2O5 and a molecular weight of 484.55 g/mol. Its IUPAC name is 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide.

Molecular Properties

Compound Name7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide
PubChem CID157375270
Molecular FormulaC29H28N2O5
Molecular Weight484.55 g/mol
Exact Mass484.20
IUPAC Name7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide
SMILESCOc1cccc(-c2cc(C(N)=O)c3c(c2)-c2ccc(C(=O)N4CCC5(CC4)OCCO5)cc2C3)c1
InChIInChI=1S/C29H28N2O5/c1-34-22-4-2-3-18(14-22)20-15-24-23-6-5-19(13-21(23)17-25(24)26(16-20)27(30)32)28(33)31-9-7-29(8-10-31)35-11-12-36-29/h2-6,13-16H,7-12,17H2,1H3,(H2,30,32)
InChIKeyBKGFTKVGHHPJQM-UHFFFAOYSA-N
XLogP4.01
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide with MolForge

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Related Compounds

7-[(3R)-3-hydroxypiperidine-1-carbonyl]-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide
CID 159726035
7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide
CID 146851107
3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide
CID 160601958
3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide
CID 160879979
8-(3-methoxyphenyl)-5H-indeno[1,2-b]pyridine-6-carboxamide
CID 160526281
2-(2-methoxyethoxy)ethyl 2-[8-carbamoyl-6-(3-methoxyphenyl)-9H-fluoren-2-yl]acetate
CID 158776823
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate
CID 57224433
7-(morpholine-4-carbonyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)-9H-fluorene-1-carboxamide
CID 147925971
3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 161097757
7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide
CID 148746011
2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide
CID 43057736
3-(cyclohexen-1-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 146686457

Frequently Asked Questions

What is the IUPAC name of 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide?
The IUPAC name of 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide (CID 157375270) is 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide.
What is the SMILES notation for 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide?
The canonical SMILES for 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide is COc1cccc(-c2cc(C(N)=O)c3c(c2)-c2ccc(C(=O)N4CCC5(CC4)OCCO5)cc2C3)c1.
What is the InChIKey of 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide?
The InChIKey is BKGFTKVGHHPJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O5/c1-34-22-4-2-3-18(14-22)20-15-24-23-6-5-19(13-21(23)17-25(24)26(16-20)27(30)32)28(33)31-9-7-29(8-10-31)35-11-12-36-29/h2-6,13-16H,7-12,17H2,1H3,(H2,30,32).
What are the key properties of 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide?
7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide is sourced from PubChem (CID 157375270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).