4-cyclopentyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide

C18H24N2O3 — CID 167974000

IUPAC4-cyclopentyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide
SMILESO=C(NC1COC2(CNC2)C1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C18H24N2O3/c21-17(20-14-9-18(22-10-14)11-19-12-18)13-5-7-16(8-6-13)23-15-3-1-2-4-15/h5-8,14-15,19H,1-4,9-12H2,(H,20,21)
InChIKeyXQBQCPOXLFDAHP-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.87
Rot. Bonds4

About 4-cyclopentyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide

4-cyclopentyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide (PubChem CID 167974000) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide
PubChem CID167974000
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-cyclopentyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide
SMILESO=C(NC1COC2(CNC2)C1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C18H24N2O3/c21-17(20-14-9-18(22-10-14)11-19-12-18)13-5-7-16(8-6-13)23-15-3-1-2-4-15/h5-8,14-15,19H,1-4,9-12H2,(H,20,21)
InChIKeyXQBQCPOXLFDAHP-UHFFFAOYSA-N
XLogP1.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)pyridine-4-carboxamide
CID 167764748
N-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide
CID 136582746
N-(1-oxaspiro[4.5]decan-3-yl)pyridine-4-carboxamide
CID 91767897
2-anilino-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide
CID 126829215
2-methyl-N-[(3S)-1-oxaspiro[4.4]nonan-3-yl]-1-benzofuran-5-carboxamide
CID 97145621
4-cyclopentyloxy-N-(2-methoxyethyl)benzamide
CID 34396260
N-(2-aminoethyl)-4-cyclohexyloxybenzamide
CID 110465257
N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide
CID 77091991
N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide
CID 7309799
6-chloro-2-[4-(1-oxaspiro[4.4]nonan-3-ylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 154378183
N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 97209452
4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111696841

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide?
The IUPAC name of 4-cyclopentyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide (CID 167974000) is 4-cyclopentyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide.
What is the SMILES notation for 4-cyclopentyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide?
The canonical SMILES for 4-cyclopentyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide is O=C(NC1COC2(CNC2)C1)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide?
The InChIKey is XQBQCPOXLFDAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(20-14-9-18(22-10-14)11-19-12-18)13-5-7-16(8-6-13)23-15-3-1-2-4-15/h5-8,14-15,19H,1-4,9-12H2,(H,20,21).
What are the key properties of 4-cyclopentyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide?
4-cyclopentyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide has a molecular weight of 316.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide is sourced from PubChem (CID 167974000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).