N-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide

C22H31N3O3 — CID 72865020

IUPACN-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide
SMILESCCN1CC2(CCN(C(=O)CCNC(C)=O)CC2)CC(c2ccccc2)C1=O
InChIInChI=1S/C22H31N3O3/c1-3-24-16-22(15-19(21(24)28)18-7-5-4-6-8-18)10-13-25(14-11-22)20(27)9-12-23-17(2)26/h4-8,19H,3,9-16H2,1-2H3,(H,23,26)
InChIKeyYQJKAPCGPZCWDQ-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.16
Rot. Bonds5

About N-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide

N-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide (PubChem CID 72865020) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide
PubChem CID72865020
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide
SMILESCCN1CC2(CCN(C(=O)CCNC(C)=O)CC2)CC(c2ccccc2)C1=O
InChIInChI=1S/C22H31N3O3/c1-3-24-16-22(15-19(21(24)28)18-7-5-4-6-8-18)10-13-25(14-11-22)20(27)9-12-23-17(2)26/h4-8,19H,3,9-16H2,1-2H3,(H,23,26)
InChIKeyYQJKAPCGPZCWDQ-UHFFFAOYSA-N
XLogP2.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide (CID 72865020) is N-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide is CCN1CC2(CCN(C(=O)CCNC(C)=O)CC2)CC(c2ccccc2)C1=O.
What is the InChIKey of N-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide?
The InChIKey is YQJKAPCGPZCWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-3-24-16-22(15-19(21(24)28)18-7-5-4-6-8-18)10-13-25(14-11-22)20(27)9-12-23-17(2)26/h4-8,19H,3,9-16H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide?
N-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 72865020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).