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

C23H34N2O3 — CID 94839949

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]acetamide
SMILESCC[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C23H34N2O3/c1-2-20(18-7-4-3-5-8-18)21-9-6-14-25(21)17-22(26)24-19-10-12-23(13-11-19)27-15-16-28-23/h3-5,7-8,19-21H,2,6,9-17H2,1H3,(H,24,26)/t20-,21+/m0/s1
InChIKeyMQMGHRLHSXLDMZ-LEWJYISDSA-N
MW386.54 g/mol
LogP3.45
Rot. Bonds6

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

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]acetamide (PubChem CID 94839949) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]acetamide
PubChem CID94839949
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]acetamide
SMILESCC[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C23H34N2O3/c1-2-20(18-7-4-3-5-8-18)21-9-6-14-25(21)17-22(26)24-19-10-12-23(13-11-19)27-15-16-28-23/h3-5,7-8,19-21H,2,6,9-17H2,1H3,(H,24,26)/t20-,21+/m0/s1
InChIKeyMQMGHRLHSXLDMZ-LEWJYISDSA-N
XLogP3.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide
CID 51120174
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-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 91646496
3-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]propanoic acid
CID 124683465
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 60500114
(3R,6S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide
CID 95621671
2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 60505073
N-cyclohexyl-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111333494
N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide
CID 95592185
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(3R)-3-(2-hydroxyethyl)morpholin-4-yl]acetamide
CID 97068758
(2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 95640677
(2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol
CID 95026932

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]acetamide (CID 94839949) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]acetamide is CC[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]acetamide?
The InChIKey is MQMGHRLHSXLDMZ-LEWJYISDSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-2-20(18-7-4-3-5-8-18)21-9-6-14-25(21)17-22(26)24-19-10-12-23(13-11-19)27-15-16-28-23/h3-5,7-8,19-21H,2,6,9-17H2,1H3,(H,24,26)/t20-,21+/m0/s1.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]acetamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]acetamide has a molecular weight of 386.54 g/mol, XLogP of 3.45, 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-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 94839949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).