N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide

C22H32N2O3 — CID 51120174

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1CCc1ccccc1)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C22H32N2O3/c25-21(23-19-10-12-22(13-11-19)26-15-16-27-22)17-24-14-4-7-20(24)9-8-18-5-2-1-3-6-18/h1-3,5-6,19-20H,4,7-17H2,(H,23,25)
InChIKeyPZMCBDSVIUBXJW-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.89
Rot. Bonds6

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide (PubChem CID 51120174) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide
PubChem CID51120174
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1CCc1ccccc1)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C22H32N2O3/c25-21(23-19-10-12-22(13-11-19)26-15-16-27-22)17-24-14-4-7-20(24)9-8-18-5-2-1-3-6-18/h1-3,5-6,19-20H,4,7-17H2,(H,23,25)
InChIKeyPZMCBDSVIUBXJW-UHFFFAOYSA-N
XLogP2.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]acetamide
CID 94839949
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 95157303
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(3R)-3-(2-hydroxyethyl)morpholin-4-yl]acetamide
CID 97068758
2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 95235752
N-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide
CID 112842074
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 91646496
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 124867040
N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79547063
2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 60505073
2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56571018
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 136578180
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide (CID 51120174) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCCC1CCc1ccccc1)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is PZMCBDSVIUBXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c25-21(23-19-10-12-22(13-11-19)26-15-16-27-22)17-24-14-4-7-20(24)9-8-18-5-2-1-3-6-18/h1-3,5-6,19-20H,4,7-17H2,(H,23,25).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 372.51 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 51120174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).