N-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide

C22H33N3O2 — CID 72931172

IUPACN-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCCC(C)NC(=O)N1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1
InChIInChI=1S/C22H33N3O2/c1-3-18(2)23-21(27)24-15-12-22(13-16-24)11-9-20(26)25(17-22)14-10-19-7-5-4-6-8-19/h4-8,18H,3,9-17H2,1-2H3,(H,23,27)
InChIKeyRDCSWJGLNGBYBR-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.44
Rot. Bonds5

About N-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide

N-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 72931172) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID72931172
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCCC(C)NC(=O)N1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1
InChIInChI=1S/C22H33N3O2/c1-3-18(2)23-21(27)24-15-12-22(13-16-24)11-9-20(26)25(17-22)14-10-19-7-5-4-6-8-19/h4-8,18H,3,9-17H2,1-2H3,(H,23,27)
InChIKeyRDCSWJGLNGBYBR-UHFFFAOYSA-N
XLogP3.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(2-methylsulfanylpropanoyl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72877158
N-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97121210
9-(3-ethoxypropanoyl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72870371
N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72916067
9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97122526
2-benzyl-9-[(2S)-2-methylsulfanylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152355
2-benzyl-9-(2-ethylsulfanylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72922405
N,N-diethyl-3-oxo-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72918249
2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97119810
2-(3-hydroxypropyl)-9-[(2R)-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97110647
9-(2-hydroxy-3-methylbutanoyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72874579
9-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72843227

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide (CID 72931172) is N-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide is CCC(C)NC(=O)N1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1.
What is the InChIKey of N-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is RDCSWJGLNGBYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-3-18(2)23-21(27)24-15-12-22(13-16-24)11-9-20(26)25(17-22)14-10-19-7-5-4-6-8-19/h4-8,18H,3,9-17H2,1-2H3,(H,23,27).
What are the key properties of N-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide?
N-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 72931172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).