N-[(4-fluorophenyl)methyl]-N-methyl-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]acetamide

C18H25FN2O3 — CID 95632874

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]acetamide
SMILESC[C@H]1COC2(CCN(CC(=O)N(C)Cc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C18H25FN2O3/c1-14-13-23-18(24-14)7-9-21(10-8-18)12-17(22)20(2)11-15-3-5-16(19)6-4-15/h3-6,14H,7-13H2,1-2H3/t14-/m0/s1
InChIKeyVJKMOTAYXQBRBO-AWEZNQCLSA-N
MW336.41 g/mol
LogP2.01
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methyl-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]acetamide

N-[(4-fluorophenyl)methyl]-N-methyl-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]acetamide (PubChem CID 95632874) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]acetamide
PubChem CID95632874
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]acetamide
SMILESC[C@H]1COC2(CCN(CC(=O)N(C)Cc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C18H25FN2O3/c1-14-13-23-18(24-14)7-9-21(10-8-18)12-17(22)20(2)11-15-3-5-16(19)6-4-15/h3-6,14H,7-13H2,1-2H3/t14-/m0/s1
InChIKeyVJKMOTAYXQBRBO-AWEZNQCLSA-N
XLogP2.01
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]acetamide (CID 95632874) is N-[(4-fluorophenyl)methyl]-N-methyl-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]acetamide is C[C@H]1COC2(CCN(CC(=O)N(C)Cc3ccc(F)cc3)CC2)O1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]acetamide?
The InChIKey is VJKMOTAYXQBRBO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-14-13-23-18(24-14)7-9-21(10-8-18)12-17(22)20(2)11-15-3-5-16(19)6-4-15/h3-6,14H,7-13H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]acetamide?
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 336.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 95632874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).