N-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide

C21H29N3O5 — CID 134788616

IUPACN-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCC2(CC1)CN(C(=O)Cc1ccc(O)cc1)CCO2
InChIInChI=1S/C21H29N3O5/c1-16(25)22-9-6-19(27)23-10-7-21(8-11-23)15-24(12-13-29-21)20(28)14-17-2-4-18(26)5-3-17/h2-5,26H,6-15H2,1H3,(H,22,25)
InChIKeyCFUJFEPWTUKVGO-UHFFFAOYSA-N
MW403.48 g/mol
LogP0.68
Rot. Bonds5

About N-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide

N-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide (PubChem CID 134788616) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide
PubChem CID134788616
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC NameN-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCC2(CC1)CN(C(=O)Cc1ccc(O)cc1)CCO2
InChIInChI=1S/C21H29N3O5/c1-16(25)22-9-6-19(27)23-10-7-21(8-11-23)15-24(12-13-29-21)20(28)14-17-2-4-18(26)5-3-17/h2-5,26H,6-15H2,1H3,(H,22,25)
InChIKeyCFUJFEPWTUKVGO-UHFFFAOYSA-N
XLogP0.68
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 134788985
1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 138380259
1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone
CID 134787981
2-(4-hydroxyphenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304431
N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]-2-phenylacetamide
CID 86981316
1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone
CID 154870166
1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone
CID 131932995
1-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-hydroxyphenyl)ethanone
CID 163310573
N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97231378
3-[(4-hydroxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112685039
1-[4-[2-(benzotriazol-2-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 131932589
1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone
CID 97449072

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide (CID 134788616) is N-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide is CC(=O)NCCC(=O)N1CCC2(CC1)CN(C(=O)Cc1ccc(O)cc1)CCO2.
What is the InChIKey of N-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide?
The InChIKey is CFUJFEPWTUKVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5/c1-16(25)22-9-6-19(27)23-10-7-21(8-11-23)15-24(12-13-29-21)20(28)14-17-2-4-18(26)5-3-17/h2-5,26H,6-15H2,1H3,(H,22,25).
What are the key properties of N-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide?
N-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide has a molecular weight of 403.48 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 134788616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).