N-[(2-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)acetamide

C21H30FN3O2 — CID 70734297

IUPACN-[(2-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)acetamide
SMILESCC(C)N1CC2(CCCN(CC(=O)NCc3ccccc3F)C2)CCC1=O
InChIInChI=1S/C21H30FN3O2/c1-16(2)25-15-21(10-8-20(25)27)9-5-11-24(14-21)13-19(26)23-12-17-6-3-4-7-18(17)22/h3-4,6-7,16H,5,8-15H2,1-2H3,(H,23,26)
InChIKeyNRVTWLCXQNCECD-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.55
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)acetamide

N-[(2-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)acetamide (PubChem CID 70734297) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)acetamide
PubChem CID70734297
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)acetamide
SMILESCC(C)N1CC2(CCCN(CC(=O)NCc3ccccc3F)C2)CCC1=O
InChIInChI=1S/C21H30FN3O2/c1-16(2)25-15-21(10-8-20(25)27)9-5-11-24(14-21)13-19(26)23-12-17-6-3-4-7-18(17)22/h3-4,6-7,16H,5,8-15H2,1-2H3,(H,23,26)
InChIKeyNRVTWLCXQNCECD-UHFFFAOYSA-N
XLogP2.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
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CID 103728348
3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 72884410
N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305042
N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60672266
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275
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CID 8539276
2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 46962515
2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide
CID 70739252
2-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-tert-butylacetamide
CID 95871224
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 81492043
(6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96580636

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)acetamide (CID 70734297) is N-[(2-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)acetamide is CC(C)N1CC2(CCCN(CC(=O)NCc3ccccc3F)C2)CCC1=O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)acetamide?
The InChIKey is NRVTWLCXQNCECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-16(2)25-15-21(10-8-20(25)27)9-5-11-24(14-21)13-19(26)23-12-17-6-3-4-7-18(17)22/h3-4,6-7,16H,5,8-15H2,1-2H3,(H,23,26).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)acetamide?
N-[(2-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)acetamide has a molecular weight of 375.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)acetamide is sourced from PubChem (CID 70734297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).