9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

C20H29N3O4 — CID 134788985

IUPAC9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(C)NC(=O)N1CCOC2(CCN(C(=O)Cc3ccc(O)cc3)CC2)C1
InChIInChI=1S/C20H29N3O4/c1-15(2)21-19(26)23-11-12-27-20(14-23)7-9-22(10-8-20)18(25)13-16-3-5-17(24)6-4-16/h3-6,15,24H,7-14H2,1-2H3,(H,21,26)
InChIKeyBPGYLZFSIVQKOU-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.75
Rot. Bonds3

About 9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 134788985) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound Name9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID134788985
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(C)NC(=O)N1CCOC2(CCN(C(=O)Cc3ccc(O)cc3)CC2)C1
InChIInChI=1S/C20H29N3O4/c1-15(2)21-19(26)23-11-12-27-20(14-23)7-9-22(10-8-20)18(25)13-16-3-5-17(24)6-4-16/h3-6,15,24H,7-14H2,1-2H3,(H,21,26)
InChIKeyBPGYLZFSIVQKOU-UHFFFAOYSA-N
XLogP1.75
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide
CID 134788616
N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97231378
N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 118739092
1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 138380259
N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 118738752
2-(4-hydroxyphenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304431
4-[2-(4-chlorophenyl)acetyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811573
N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
CID 110813014
1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone
CID 134787981
(6R)-N-propan-2-yl-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97492184
1-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-hydroxyphenyl)ethanone
CID 163310573
(6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97491976

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of 9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (CID 134788985) is 9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for 9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for 9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is CC(C)NC(=O)N1CCOC2(CCN(C(=O)Cc3ccc(O)cc3)CC2)C1.
What is the InChIKey of 9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is BPGYLZFSIVQKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-15(2)21-19(26)23-11-12-27-20(14-23)7-9-22(10-8-20)18(25)13-16-3-5-17(24)6-4-16/h3-6,15,24H,7-14H2,1-2H3,(H,21,26).
What are the key properties of 9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 134788985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).