2-phenyl-N-(phosphanyloxymethyl)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide

C22H33N2O3P — CID 130461867

IUPAC2-phenyl-N-(phosphanyloxymethyl)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
SMILESO=C(Cc1ccccc1)N(COP)C1CCC2(CCCO2)CC1N1CCCC1
InChIInChI=1S/C22H33N2O3P/c25-21(15-18-7-2-1-3-8-18)24(17-27-28)19-9-11-22(10-6-14-26-22)16-20(19)23-12-4-5-13-23/h1-3,7-8,19-20H,4-6,9-17,28H2
InChIKeyWSADWQXSJGDOHW-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.39
Rot. Bonds6

About 2-phenyl-N-(phosphanyloxymethyl)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide

2-phenyl-N-(phosphanyloxymethyl)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide (PubChem CID 130461867) has the molecular formula C22H33N2O3P and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-phenyl-N-(phosphanyloxymethyl)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(phosphanyloxymethyl)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
PubChem CID130461867
Molecular FormulaC22H33N2O3P
Molecular Weight404.49 g/mol
Exact Mass404.22
IUPAC Name2-phenyl-N-(phosphanyloxymethyl)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
SMILESO=C(Cc1ccccc1)N(COP)C1CCC2(CCCO2)CC1N1CCCC1
InChIInChI=1S/C22H33N2O3P/c25-21(15-18-7-2-1-3-8-18)24(17-27-28)19-9-11-22(10-6-14-26-22)16-20(19)23-12-4-5-13-23/h1-3,7-8,19-20H,4-6,9-17,28H2
InChIKeyWSADWQXSJGDOHW-UHFFFAOYSA-N
XLogP3.39
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-phenyl-N-(phosphanyloxymethyl)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

U-69593
CID 105104
N-methyl-2,3-diphenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]cycloprop-2-ene-1-carboxamide
CID 11753832
Sdccgsbi-0051173.P002
CID 11957712
N-methyl-2-phenyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
CID 13298444
N-methyl-2-naphthalen-1-yl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride
CID 45260444
N-methyl-2-phenyl-N-[(5R,7S,8S)-8-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-7-yl]acetamide
CID 73350518
N-methyl-2-phenyl-N-[7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl]acetamide
CID 4656409
Lopac-U-103
CID 6604036
N-methyl-2,3-diphenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)cycloprop-2-ene-1-carboxamide
CID 44213762
(5R,7S,8S)-(+)-N-Methyl-N-[7-(1-pyrrolidinyl)-1-oxaspiro(4,5)dec-8-yl]benzeneacetamide
CID 44457752
2-(4-bromophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
CID 22826046
N-methyl-2-phenyl-N-[(5S,7R,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
CID 23405863

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(phosphanyloxymethyl)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of 2-phenyl-N-(phosphanyloxymethyl)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide (CID 130461867) is 2-phenyl-N-(phosphanyloxymethyl)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for 2-phenyl-N-(phosphanyloxymethyl)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for 2-phenyl-N-(phosphanyloxymethyl)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide is O=C(Cc1ccccc1)N(COP)C1CCC2(CCCO2)CC1N1CCCC1.
What is the InChIKey of 2-phenyl-N-(phosphanyloxymethyl)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is WSADWQXSJGDOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N2O3P/c25-21(15-18-7-2-1-3-8-18)24(17-27-28)19-9-11-22(10-6-14-26-22)16-20(19)23-12-4-5-13-23/h1-3,7-8,19-20H,4-6,9-17,28H2.
What are the key properties of 2-phenyl-N-(phosphanyloxymethyl)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?
2-phenyl-N-(phosphanyloxymethyl)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 404.49 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(phosphanyloxymethyl)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 130461867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).