4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C23H33FN2O3 — CID 46110816

IUPAC4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCCN(CCC)C(=O)C1COC2(CCC(C)CC2)N1C(=O)c1ccccc1F
InChIInChI=1S/C23H33FN2O3/c1-4-14-25(15-5-2)22(28)20-16-29-23(12-10-17(3)11-13-23)26(20)21(27)18-8-6-7-9-19(18)24/h6-9,17,20H,4-5,10-16H2,1-3H3
InChIKeyZXVWRLOAJAKOIA-UHFFFAOYSA-N
MW404.53 g/mol
LogP4.22
Rot. Bonds6

About 4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 46110816) has the molecular formula C23H33FN2O3 and a molecular weight of 404.53 g/mol. Its IUPAC name is 4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID46110816
Molecular FormulaC23H33FN2O3
Molecular Weight404.53 g/mol
Exact Mass404.25
IUPAC Name4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCCN(CCC)C(=O)C1COC2(CCC(C)CC2)N1C(=O)c1ccccc1F
InChIInChI=1S/C23H33FN2O3/c1-4-14-25(15-5-2)22(28)20-16-29-23(12-10-17(3)11-13-23)26(20)21(27)18-8-6-7-9-19(18)24/h6-9,17,20H,4-5,10-16H2,1-3H3
InChIKeyZXVWRLOAJAKOIA-UHFFFAOYSA-N
XLogP4.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 46110816) is 4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CCCN(CCC)C(=O)C1COC2(CCC(C)CC2)N1C(=O)c1ccccc1F.
What is the InChIKey of 4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is ZXVWRLOAJAKOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN2O3/c1-4-14-25(15-5-2)22(28)20-16-29-23(12-10-17(3)11-13-23)26(20)21(27)18-8-6-7-9-19(18)24/h6-9,17,20H,4-5,10-16H2,1-3H3.
What are the key properties of 4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 404.53 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 46110816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).