2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide

C23H35N3O2 — CID 126426416

IUPAC2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCC(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1
InChIInChI=1S/C23H35N3O2/c1-19(2)22(28)24-16-21(27)26-15-12-23(18-26)11-7-14-25(17-23)13-6-10-20-8-4-3-5-9-20/h3-5,8-9,19H,6-7,10-18H2,1-2H3,(H,24,28)/t23-/m0/s1
InChIKeyATRLCTSMNPRRQC-QHCPKHFHSA-N
MW385.55 g/mol
LogP2.71
Rot. Bonds7

About 2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide

2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide (PubChem CID 126426416) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide
PubChem CID126426416
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCC(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1
InChIInChI=1S/C23H35N3O2/c1-19(2)22(28)24-16-21(27)26-15-12-23(18-26)11-7-14-25(17-23)13-6-10-20-8-4-3-5-9-20/h3-5,8-9,19H,6-7,10-18H2,1-2H3,(H,24,28)/t23-/m0/s1
InChIKeyATRLCTSMNPRRQC-QHCPKHFHSA-N
XLogP2.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 45226995
(E)-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 45207374
(E)-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 25289959
1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one
CID 45210811
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 42508168
(5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42290294
1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one
CID 97393132
[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 42341584
N-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-2-methylpropanamide
CID 72841382
[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone
CID 45200874
1-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(tetrazol-1-yl)propan-1-one
CID 45196357
(5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45199217

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide (CID 126426416) is 2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide is CC(C)C(=O)NCC(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide?
The InChIKey is ATRLCTSMNPRRQC-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-19(2)22(28)24-16-21(27)26-15-12-23(18-26)11-7-14-25(17-23)13-6-10-20-8-4-3-5-9-20/h3-5,8-9,19H,6-7,10-18H2,1-2H3,(H,24,28)/t23-/m0/s1.
What are the key properties of 2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide?
2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide has a molecular weight of 385.55 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide is sourced from PubChem (CID 126426416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).