N-cyclopropyl-N-[9-(2-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide

C25H32N4O3 — CID 91909270

IUPACN-cyclopropyl-N-[9-(2-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide
SMILESCCn1nccc1C(=O)N1CCC2(CC1)CC(N(C(=O)c1ccccc1)C1CC1)CCO2
InChIInChI=1S/C25H32N4O3/c1-2-28-22(10-14-26-28)24(31)27-15-12-25(13-16-27)18-21(11-17-32-25)29(20-8-9-20)23(30)19-6-4-3-5-7-19/h3-7,10,14,20-21H,2,8-9,11-13,15-18H2,1H3
InChIKeyISKGZXXDEGWYAN-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.36
Rot. Bonds5

About N-cyclopropyl-N-[9-(2-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide

N-cyclopropyl-N-[9-(2-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide (PubChem CID 91909270) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-cyclopropyl-N-[9-(2-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[9-(2-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide
PubChem CID91909270
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-cyclopropyl-N-[9-(2-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide
SMILESCCn1nccc1C(=O)N1CCC2(CC1)CC(N(C(=O)c1ccccc1)C1CC1)CCO2
InChIInChI=1S/C25H32N4O3/c1-2-28-22(10-14-26-28)24(31)27-15-12-25(13-16-27)18-21(11-17-32-25)29(20-8-9-20)23(30)19-6-4-3-5-7-19/h3-7,10,14,20-21H,2,8-9,11-13,15-18H2,1H3
InChIKeyISKGZXXDEGWYAN-UHFFFAOYSA-N
XLogP3.36
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[9-(2-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-N-[9-(2-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide (CID 91909270) is N-cyclopropyl-N-[9-(2-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-[9-(2-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-N-[9-(2-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide is CCn1nccc1C(=O)N1CCC2(CC1)CC(N(C(=O)c1ccccc1)C1CC1)CCO2.
What is the InChIKey of N-cyclopropyl-N-[9-(2-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide?
The InChIKey is ISKGZXXDEGWYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-2-28-22(10-14-26-28)24(31)27-15-12-25(13-16-27)18-21(11-17-32-25)29(20-8-9-20)23(30)19-6-4-3-5-7-19/h3-7,10,14,20-21H,2,8-9,11-13,15-18H2,1H3.
What are the key properties of N-cyclopropyl-N-[9-(2-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide?
N-cyclopropyl-N-[9-(2-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide has a molecular weight of 436.56 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[9-(2-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide is sourced from PubChem (CID 91909270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).