N-[(2R)-1-methoxypropan-2-yl]-2-[7-oxo-8-(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-3-yl]acetamide

C24H35N3O3 — CID 124941899

IUPACN-[(2R)-1-methoxypropan-2-yl]-2-[7-oxo-8-(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-3-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)CN1CCC2(CC=CCN(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C24H35N3O3/c1-20(19-30-2)25-22(28)18-26-16-12-24(13-17-26)11-6-7-14-27(23(24)29)15-10-21-8-4-3-5-9-21/h3-9,20H,10-19H2,1-2H3,(H,25,28)/t20-/m1/s1
InChIKeyAQTFBNWFDYYVGX-HXUWFJFHSA-N
MW413.56 g/mol
LogP2.25
Rot. Bonds8

About N-[(2R)-1-methoxypropan-2-yl]-2-[7-oxo-8-(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-3-yl]acetamide

N-[(2R)-1-methoxypropan-2-yl]-2-[7-oxo-8-(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-3-yl]acetamide (PubChem CID 124941899) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-2-[7-oxo-8-(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]-2-[7-oxo-8-(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-3-yl]acetamide
PubChem CID124941899
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]-2-[7-oxo-8-(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-3-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)CN1CCC2(CC=CCN(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C24H35N3O3/c1-20(19-30-2)25-22(28)18-26-16-12-24(13-17-26)11-6-7-14-27(23(24)29)15-10-21-8-4-3-5-9-21/h3-9,20H,10-19H2,1-2H3,(H,25,28)/t20-/m1/s1
InChIKeyAQTFBNWFDYYVGX-HXUWFJFHSA-N
XLogP2.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,8-bis(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one
CID 110093446
N-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide
CID 175645180
3-[[3-(4-fluorophenyl)phenyl]methyl]-8-(2-methoxyethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one
CID 129361127
2-(4-benzoylpiperidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 134049466
8-(2-phenylethyl)-3-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3,8-diazaspiro[5.6]dodec-10-en-7-one
CID 110093470
N-[(2S)-1-methoxypropan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 94784934
N-(1-methoxypropan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 51199549
2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 92582048
methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate
CID 8742230
1-benzyl-4-(2-hydroxyethyl)-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 125180420
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
N-(1-methoxypropan-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51174931

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-2-[7-oxo-8-(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-3-yl]acetamide?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-2-[7-oxo-8-(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-3-yl]acetamide (CID 124941899) is N-[(2R)-1-methoxypropan-2-yl]-2-[7-oxo-8-(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-3-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-2-[7-oxo-8-(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-3-yl]acetamide?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-2-[7-oxo-8-(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-3-yl]acetamide is COC[C@@H](C)NC(=O)CN1CCC2(CC=CCN(CCc3ccccc3)C2=O)CC1.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-2-[7-oxo-8-(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-3-yl]acetamide?
The InChIKey is AQTFBNWFDYYVGX-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-20(19-30-2)25-22(28)18-26-16-12-24(13-17-26)11-6-7-14-27(23(24)29)15-10-21-8-4-3-5-9-21/h3-9,20H,10-19H2,1-2H3,(H,25,28)/t20-/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-2-[7-oxo-8-(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-3-yl]acetamide?
N-[(2R)-1-methoxypropan-2-yl]-2-[7-oxo-8-(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-3-yl]acetamide has a molecular weight of 413.56 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]-2-[7-oxo-8-(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-3-yl]acetamide is sourced from PubChem (CID 124941899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).