2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C21H29N3O5 — CID 131693726

IUPAC2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCN1CC2(CN(C(=O)c3cccc(O)c3)C2)OCC1C(=O)NCC1CCOCC1
InChIInChI=1S/C21H29N3O5/c1-23-12-21(13-24(14-21)20(27)16-3-2-4-17(25)9-16)29-11-18(23)19(26)22-10-15-5-7-28-8-6-15/h2-4,9,15,18,25H,5-8,10-14H2,1H3,(H,22,26)
InChIKeyDCIQFABFVRYDIU-UHFFFAOYSA-N
MW403.48 g/mol
LogP0.46
Rot. Bonds4

About 2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 131693726) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID131693726
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC Name2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCN1CC2(CN(C(=O)c3cccc(O)c3)C2)OCC1C(=O)NCC1CCOCC1
InChIInChI=1S/C21H29N3O5/c1-23-12-21(13-24(14-21)20(27)16-3-2-4-17(25)9-16)29-11-18(23)19(26)22-10-15-5-7-28-8-6-15/h2-4,9,15,18,25H,5-8,10-14H2,1H3,(H,22,26)
InChIKeyDCIQFABFVRYDIU-UHFFFAOYSA-N
XLogP0.46
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693362
[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone
CID 97488632
1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131692664
[8-(cyclopropylmethyl)-2-(3-hydroxybenzoyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155868816
[7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone;2,2,2-trifluoroacetic acid
CID 155860903
[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone
CID 131671735
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 54986051
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
(3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692889
N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131651832

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 131693726) is 2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is CN1CC2(CN(C(=O)c3cccc(O)c3)C2)OCC1C(=O)NCC1CCOCC1.
What is the InChIKey of 2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is DCIQFABFVRYDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5/c1-23-12-21(13-24(14-21)20(27)16-3-2-4-17(25)9-16)29-11-18(23)19(26)22-10-15-5-7-28-8-6-15/h2-4,9,15,18,25H,5-8,10-14H2,1H3,(H,22,26).
What are the key properties of 2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 131693726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).