2-[2-[2-oxo-9-[(2S)-3,3,3-trifluoro-2-methyl-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-5-yl]phenoxy]acetamide

C27H30F3N3O4 — CID 146962535

IUPAC2-[2-[2-oxo-9-[(2S)-3,3,3-trifluoro-2-methyl-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-5-yl]phenoxy]acetamide
SMILESC[C@@](C(=O)N1CCC2(CC1)CC(=O)NCC2c1ccccc1OCC(N)=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C27H30F3N3O4/c1-25(27(28,29)30,18-7-3-2-4-8-18)24(36)33-13-11-26(12-14-33)15-23(35)32-16-20(26)19-9-5-6-10-21(19)37-17-22(31)34/h2-10,20H,11-17H2,1H3,(H2,31,34)(H,32,35)/t20?,25-/m0/s1
InChIKeyAKWFINVXCFGBIE-KUXBLMNESA-N
MW517.55 g/mol
LogP3.28
Rot. Bonds6

About 2-[2-[2-oxo-9-[(2S)-3,3,3-trifluoro-2-methyl-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-5-yl]phenoxy]acetamide

2-[2-[2-oxo-9-[(2S)-3,3,3-trifluoro-2-methyl-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-5-yl]phenoxy]acetamide (PubChem CID 146962535) has the molecular formula C27H30F3N3O4 and a molecular weight of 517.55 g/mol. Its IUPAC name is 2-[2-[2-oxo-9-[(2S)-3,3,3-trifluoro-2-methyl-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-5-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[2-oxo-9-[(2S)-3,3,3-trifluoro-2-methyl-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-5-yl]phenoxy]acetamide
PubChem CID146962535
Molecular FormulaC27H30F3N3O4
Molecular Weight517.55 g/mol
Exact Mass517.22
IUPAC Name2-[2-[2-oxo-9-[(2S)-3,3,3-trifluoro-2-methyl-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-5-yl]phenoxy]acetamide
SMILESC[C@@](C(=O)N1CCC2(CC1)CC(=O)NCC2c1ccccc1OCC(N)=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C27H30F3N3O4/c1-25(27(28,29)30,18-7-3-2-4-8-18)24(36)33-13-11-26(12-14-33)15-23(35)32-16-20(26)19-9-5-6-10-21(19)37-17-22(31)34/h2-10,20H,11-17H2,1H3,(H2,31,34)(H,32,35)/t20?,25-/m0/s1
InChIKeyAKWFINVXCFGBIE-KUXBLMNESA-N
XLogP3.28
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.55
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxypropyl)-9H-xanthene-9-carboxamide
CID 1928115
N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide
CID 2905426
N-(3-ethoxypropyl)-9H-xanthene-9-carboxamide
CID 3151963
N-(1-hexylpiperidin-4-yl)xanthene-9-carboxamide
CID 11794863
N-[3-(diethylamino)propyl]-9H-xanthene-9-carboxamide
CID 660919
9H-Xanthene-9-carboxylic acid [3-(2,6-dimethyl-piperidin-1-yl)-propyl]-amide
CID 14973195
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 56658277
N-[(1-benzylpiperidin-4-yl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 168292471
Piperidine-3-carboxylic acid [9-(4-methoxy-butyl)-9H-xanthen-9-ylmethyl]-amide
CID 11963439
Oxiramide
CID 76958086
(5R)-5-(2-methoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 151735172
N-(3-butoxypropyl)-9H-xanthene-9-carboxamide
CID 2289348

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-oxo-9-[(2S)-3,3,3-trifluoro-2-methyl-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-5-yl]phenoxy]acetamide?
The IUPAC name of 2-[2-[2-oxo-9-[(2S)-3,3,3-trifluoro-2-methyl-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-5-yl]phenoxy]acetamide (CID 146962535) is 2-[2-[2-oxo-9-[(2S)-3,3,3-trifluoro-2-methyl-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-5-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[2-oxo-9-[(2S)-3,3,3-trifluoro-2-methyl-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-5-yl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[2-oxo-9-[(2S)-3,3,3-trifluoro-2-methyl-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-5-yl]phenoxy]acetamide is C[C@@](C(=O)N1CCC2(CC1)CC(=O)NCC2c1ccccc1OCC(N)=O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-[2-[2-oxo-9-[(2S)-3,3,3-trifluoro-2-methyl-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-5-yl]phenoxy]acetamide?
The InChIKey is AKWFINVXCFGBIE-KUXBLMNESA-N. The full InChI is InChI=1S/C27H30F3N3O4/c1-25(27(28,29)30,18-7-3-2-4-8-18)24(36)33-13-11-26(12-14-33)15-23(35)32-16-20(26)19-9-5-6-10-21(19)37-17-22(31)34/h2-10,20H,11-17H2,1H3,(H2,31,34)(H,32,35)/t20?,25-/m0/s1.
What are the key properties of 2-[2-[2-oxo-9-[(2S)-3,3,3-trifluoro-2-methyl-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-5-yl]phenoxy]acetamide?
2-[2-[2-oxo-9-[(2S)-3,3,3-trifluoro-2-methyl-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-5-yl]phenoxy]acetamide has a molecular weight of 517.55 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-oxo-9-[(2S)-3,3,3-trifluoro-2-methyl-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-5-yl]phenoxy]acetamide is sourced from PubChem (CID 146962535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).