7-benzyl-N-(4-hydroxybutyl)-N-methyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxamide

C20H30N2O3 — CID 126830281

IUPAC7-benzyl-N-(4-hydroxybutyl)-N-methyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxamide
SMILESCN(CCCCO)C(=O)C1CN(Cc2ccccc2)CC12CCOC2
InChIInChI=1S/C20H30N2O3/c1-21(10-5-6-11-23)19(24)18-14-22(13-17-7-3-2-4-8-17)15-20(18)9-12-25-16-20/h2-4,7-8,18,23H,5-6,9-16H2,1H3
InChIKeyFAMSIMLGNNSGHV-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.76
Rot. Bonds7

About 7-benzyl-N-(4-hydroxybutyl)-N-methyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxamide

7-benzyl-N-(4-hydroxybutyl)-N-methyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxamide (PubChem CID 126830281) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 7-benzyl-N-(4-hydroxybutyl)-N-methyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound Name7-benzyl-N-(4-hydroxybutyl)-N-methyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxamide
PubChem CID126830281
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name7-benzyl-N-(4-hydroxybutyl)-N-methyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxamide
SMILESCN(CCCCO)C(=O)C1CN(Cc2ccccc2)CC12CCOC2
InChIInChI=1S/C20H30N2O3/c1-21(10-5-6-11-23)19(24)18-14-22(13-17-7-3-2-4-8-17)15-20(18)9-12-25-16-20/h2-4,7-8,18,23H,5-6,9-16H2,1H3
InChIKeyFAMSIMLGNNSGHV-UHFFFAOYSA-N
XLogP1.76
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N,2-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 87054496
2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-amine
CID 83825243
2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde
CID 170758168
2-[(4-bromophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride
CID 71432598
(4S)-2-[(3-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 51440237
(4S)-N-phenyl-2-(pyridin-3-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97375429
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
N-methyl-N-(pyrimidin-2-ylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 155875192
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
N-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 155875271
[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 91910416
[(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid
CID 20792051

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-N-(4-hydroxybutyl)-N-methyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of 7-benzyl-N-(4-hydroxybutyl)-N-methyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxamide (CID 126830281) is 7-benzyl-N-(4-hydroxybutyl)-N-methyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for 7-benzyl-N-(4-hydroxybutyl)-N-methyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for 7-benzyl-N-(4-hydroxybutyl)-N-methyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxamide is CN(CCCCO)C(=O)C1CN(Cc2ccccc2)CC12CCOC2.
What is the InChIKey of 7-benzyl-N-(4-hydroxybutyl)-N-methyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxamide?
The InChIKey is FAMSIMLGNNSGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-21(10-5-6-11-23)19(24)18-14-22(13-17-7-3-2-4-8-17)15-20(18)9-12-25-16-20/h2-4,7-8,18,23H,5-6,9-16H2,1H3.
What are the key properties of 7-benzyl-N-(4-hydroxybutyl)-N-methyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxamide?
7-benzyl-N-(4-hydroxybutyl)-N-methyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-N-(4-hydroxybutyl)-N-methyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 126830281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).