N-(3-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decane-6-carboxamide

C22H25NO4 — CID 11089893

IUPACN-(3-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decane-6-carboxamide
SMILESO=C(Nc1cccc(OCc2ccccc2)c1)C1CCCCC12OCCO2
InChIInChI=1S/C22H25NO4/c24-21(20-11-4-5-12-22(20)26-13-14-27-22)23-18-9-6-10-19(15-18)25-16-17-7-2-1-3-8-17/h1-3,6-10,15,20H,4-5,11-14,16H2,(H,23,24)
InChIKeyWDJUKCXFYOKPGP-UHFFFAOYSA-N
MW367.44 g/mol
LogP4.14
Rot. Bonds5

About N-(3-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decane-6-carboxamide

N-(3-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decane-6-carboxamide (PubChem CID 11089893) has the molecular formula C22H25NO4 and a molecular weight of 367.44 g/mol. Its IUPAC name is N-(3-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decane-6-carboxamide.

Molecular Properties

Compound NameN-(3-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decane-6-carboxamide
PubChem CID11089893
Molecular FormulaC22H25NO4
Molecular Weight367.44 g/mol
Exact Mass367.18
IUPAC NameN-(3-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decane-6-carboxamide
SMILESO=C(Nc1cccc(OCc2ccccc2)c1)C1CCCCC12OCCO2
InChIInChI=1S/C22H25NO4/c24-21(20-11-4-5-12-22(20)26-13-14-27-22)23-18-9-6-10-19(15-18)25-16-17-7-2-1-3-8-17/h1-3,6-10,15,20H,4-5,11-14,16H2,(H,23,24)
InChIKeyWDJUKCXFYOKPGP-UHFFFAOYSA-N
XLogP4.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
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4-chloro-N-(3-phenylmethoxyphenyl)butanamide
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2-[3-[(1,1-dioxothiane-2-carbonyl)amino]phenoxy]acetic acid
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2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
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CID 119783770

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decane-6-carboxamide?
The IUPAC name of N-(3-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decane-6-carboxamide (CID 11089893) is N-(3-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decane-6-carboxamide.
What is the SMILES notation for N-(3-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decane-6-carboxamide?
The canonical SMILES for N-(3-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decane-6-carboxamide is O=C(Nc1cccc(OCc2ccccc2)c1)C1CCCCC12OCCO2.
What is the InChIKey of N-(3-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decane-6-carboxamide?
The InChIKey is WDJUKCXFYOKPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c24-21(20-11-4-5-12-22(20)26-13-14-27-22)23-18-9-6-10-19(15-18)25-16-17-7-2-1-3-8-17/h1-3,6-10,15,20H,4-5,11-14,16H2,(H,23,24).
What are the key properties of N-(3-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decane-6-carboxamide?
N-(3-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decane-6-carboxamide has a molecular weight of 367.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decane-6-carboxamide is sourced from PubChem (CID 11089893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).