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

C19H21N3O2 — CID 126829215

IUPAC2-anilino-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide
SMILESO=C(NC1COC2(CNC2)C1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C19H21N3O2/c23-18(22-15-10-19(24-11-15)12-20-13-19)16-8-4-5-9-17(16)21-14-6-2-1-3-7-14/h1-9,15,20-21H,10-13H2,(H,22,23)
InChIKeyKTZGJFTWFGLFMX-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.29
Rot. Bonds4

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

2-anilino-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide (PubChem CID 126829215) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-anilino-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide.

Molecular Properties

Compound Name2-anilino-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide
PubChem CID126829215
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-anilino-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide
SMILESO=C(NC1COC2(CNC2)C1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C19H21N3O2/c23-18(22-15-10-19(24-11-15)12-20-13-19)16-8-4-5-9-17(16)21-14-6-2-1-3-7-14/h1-9,15,20-21H,10-13H2,(H,22,23)
InChIKeyKTZGJFTWFGLFMX-UHFFFAOYSA-N
XLogP2.29
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide
CID 154766632
2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 27710336
2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide
CID 126451939
4-cyclopentyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide
CID 167974000
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255
2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide
CID 70968802
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 124751545
bis(2-anilinophenyl)methanone
CID 141301141
2-(4-methoxyanilino)-N-piperidin-4-ylbenzamide
CID 119386646
2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 71939760
2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide
CID 125165608
2-cyclobutyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)pyridine-4-carboxamide
CID 167764748

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide?
The IUPAC name of 2-anilino-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide (CID 126829215) is 2-anilino-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide.
What is the SMILES notation for 2-anilino-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide?
The canonical SMILES for 2-anilino-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide is O=C(NC1COC2(CNC2)C1)c1ccccc1Nc1ccccc1.
What is the InChIKey of 2-anilino-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide?
The InChIKey is KTZGJFTWFGLFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(22-15-10-19(24-11-15)12-20-13-19)16-8-4-5-9-17(16)21-14-6-2-1-3-7-14/h1-9,15,20-21H,10-13H2,(H,22,23).
What are the key properties of 2-anilino-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide?
2-anilino-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide is sourced from PubChem (CID 126829215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).