2-[9-[3-(4-methylphenyl)propanoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

C21H29N3O3 — CID 72928019

IUPAC2-[9-[3-(4-methylphenyl)propanoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESCc1ccc(CCC(=O)N2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)cc1
InChIInChI=1S/C21H29N3O3/c1-16-2-4-17(5-3-16)6-7-19(26)23-12-10-21(11-13-23)9-8-20(27)24(15-21)14-18(22)25/h2-5H,6-15H2,1H3,(H2,22,25)
InChIKeyQWJAUBLSBGHDQF-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.64
Rot. Bonds5

About 2-[9-[3-(4-methylphenyl)propanoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

2-[9-[3-(4-methylphenyl)propanoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (PubChem CID 72928019) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[9-[3-(4-methylphenyl)propanoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.

Molecular Properties

Compound Name2-[9-[3-(4-methylphenyl)propanoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
PubChem CID72928019
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-[9-[3-(4-methylphenyl)propanoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESCc1ccc(CCC(=O)N2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)cc1
InChIInChI=1S/C21H29N3O3/c1-16-2-4-17(5-3-16)6-7-19(26)23-12-10-21(11-13-23)9-8-20(27)24(15-21)14-18(22)25/h2-5H,6-15H2,1H3,(H2,22,25)
InChIKeyQWJAUBLSBGHDQF-UHFFFAOYSA-N
XLogP1.64
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-oxo-9-(3-pyridin-4-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 86284128
2-[9-(2-hydroxy-4-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 72867988
3-amino-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 107323346
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
2-(3-methoxypropyl)-9-[2-(4-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72904809
9-[3-(4-fluorophenyl)propanoyl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72921048
9-(3-ethoxypropanoyl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72870371
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 120807583
2-(2-hydroxyethyl)-9-[3-(3-methoxyphenyl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72874006
9-[2-(4-methylphenyl)acetyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97113040
2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 70717213
1-(4-hydroxy-4-methylazepan-1-yl)-3-(4-methylphenyl)propan-1-one
CID 107406662

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(4-methylphenyl)propanoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The IUPAC name of 2-[9-[3-(4-methylphenyl)propanoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (CID 72928019) is 2-[9-[3-(4-methylphenyl)propanoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.
What is the SMILES notation for 2-[9-[3-(4-methylphenyl)propanoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The canonical SMILES for 2-[9-[3-(4-methylphenyl)propanoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is Cc1ccc(CCC(=O)N2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)cc1.
What is the InChIKey of 2-[9-[3-(4-methylphenyl)propanoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The InChIKey is QWJAUBLSBGHDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-16-2-4-17(5-3-16)6-7-19(26)23-12-10-21(11-13-23)9-8-20(27)24(15-21)14-18(22)25/h2-5H,6-15H2,1H3,(H2,22,25).
What are the key properties of 2-[9-[3-(4-methylphenyl)propanoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
2-[9-[3-(4-methylphenyl)propanoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-(4-methylphenyl)propanoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is sourced from PubChem (CID 72928019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).