N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide

C21H23NO4 — CID 112523910

IUPACN-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C21H23NO4/c23-20(16-10-12-21(13-11-16)24-14-15-25-21)22-17-6-8-19(9-7-17)26-18-4-2-1-3-5-18/h1-9,16H,10-15H2,(H,22,23)
InChIKeyOTEOROGNLGARJI-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.35
Rot. Bonds4

About N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide

N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide (PubChem CID 112523910) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
PubChem CID112523910
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC NameN-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C21H23NO4/c23-20(16-10-12-21(13-11-16)24-14-15-25-21)22-17-6-8-19(9-7-17)26-18-4-2-1-3-5-18/h1-9,16H,10-15H2,(H,22,23)
InChIKeyOTEOROGNLGARJI-UHFFFAOYSA-N
XLogP4.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112524042
(1R)-N-(4-phenoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 8780376
1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide
CID 90511634
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112520650
N-[4-(cyclopropanecarbonylamino)phenyl]-3-phenoxybenzamide
CID 25276057
(1S,6S)-6-[(4-phenoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 795296
N-(4-pyridin-3-yloxyphenyl)cyclopentanecarboxamide
CID 154837757
1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide
CID 90513134
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
N-(4-pyridin-4-yloxyphenyl)cyclobutanecarboxamide
CID 49363610

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide (CID 112523910) is N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The InChIKey is OTEOROGNLGARJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c23-20(16-10-12-21(13-11-16)24-14-15-25-21)22-17-6-8-19(9-7-17)26-18-4-2-1-3-5-18/h1-9,16H,10-15H2,(H,22,23).
What are the key properties of N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 112523910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).