N-[[(5R,7R)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methylpropanamide

C20H29FN2O2 — CID 97485203

IUPACN-[[(5R,7R)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@H]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2)O1
InChIInChI=1S/C20H29FN2O2/c1-15(2)19(24)22-12-18-7-4-8-20(25-18)9-10-23(14-20)13-16-5-3-6-17(21)11-16/h3,5-6,11,15,18H,4,7-10,12-14H2,1-2H3,(H,22,24)/t18-,20-/m1/s1
InChIKeyBCLQWGCJTWPVEC-UYAOXDASSA-N
MW348.46 g/mol
LogP3.11
Rot. Bonds5

About N-[[(5R,7R)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methylpropanamide

N-[[(5R,7R)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methylpropanamide (PubChem CID 97485203) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is N-[[(5R,7R)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(5R,7R)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methylpropanamide
PubChem CID97485203
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC NameN-[[(5R,7R)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@H]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2)O1
InChIInChI=1S/C20H29FN2O2/c1-15(2)19(24)22-12-18-7-4-8-20(25-18)9-10-23(14-20)13-16-5-3-6-17(21)11-16/h3,5-6,11,15,18H,4,7-10,12-14H2,1-2H3,(H,22,24)/t18-,20-/m1/s1
InChIKeyBCLQWGCJTWPVEC-UYAOXDASSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[(2R)-8-(naphthalen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
CID 42370794
2-(3-fluorophenyl)-N-[[(2R)-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 125161801
7-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134072440
N-[[(5R,7R)-2-benzyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155838049
N-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide
CID 97476450
N-[[(2S)-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide
CID 42501115
N-[[8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide
CID 45207665
N-[[(5S,7S)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxamide
CID 124795577
N-[[(5S,7S)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]ethanesulfonamide
CID 124895675
N-[[8-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide
CID 45203893
N-[[(5R,7R)-2-(cyclopropylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide
CID 97476193
N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,4,6-trifluorophenyl)acetamide
CID 42170931

Frequently Asked Questions

What is the IUPAC name of N-[[(5R,7R)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(5R,7R)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methylpropanamide (CID 97485203) is N-[[(5R,7R)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(5R,7R)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(5R,7R)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NC[C@H]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2)O1.
What is the InChIKey of N-[[(5R,7R)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methylpropanamide?
The InChIKey is BCLQWGCJTWPVEC-UYAOXDASSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-15(2)19(24)22-12-18-7-4-8-20(25-18)9-10-23(14-20)13-16-5-3-6-17(21)11-16/h3,5-6,11,15,18H,4,7-10,12-14H2,1-2H3,(H,22,24)/t18-,20-/m1/s1.
What are the key properties of N-[[(5R,7R)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methylpropanamide?
N-[[(5R,7R)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methylpropanamide has a molecular weight of 348.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R,7R)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 97485203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).