N-ethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide

C20H29N3O3 — CID 70779385

IUPACN-ethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide
SMILESCCNC(=O)CN1CCC2(CC1)CN(CC(C)c1ccccc1)C(=O)O2
InChIInChI=1S/C20H29N3O3/c1-3-21-18(24)14-22-11-9-20(10-12-22)15-23(19(25)26-20)13-16(2)17-7-5-4-6-8-17/h4-8,16H,3,9-15H2,1-2H3,(H,21,24)
InChIKeyBPNGOQBQJXAABM-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.21
Rot. Bonds6

About N-ethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide

N-ethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide (PubChem CID 70779385) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-ethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide
PubChem CID70779385
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-ethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide
SMILESCCNC(=O)CN1CCC2(CC1)CN(CC(C)c1ccccc1)C(=O)O2
InChIInChI=1S/C20H29N3O3/c1-3-21-18(24)14-22-11-9-20(10-12-22)15-23(19(25)26-20)13-16(2)17-7-5-4-6-8-17/h4-8,16H,3,9-15H2,1-2H3,(H,21,24)
InChIKeyBPNGOQBQJXAABM-UHFFFAOYSA-N
XLogP2.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide?
The IUPAC name of N-ethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide (CID 70779385) is N-ethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide?
The canonical SMILES for N-ethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide is CCNC(=O)CN1CCC2(CC1)CN(CC(C)c1ccccc1)C(=O)O2.
What is the InChIKey of N-ethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide?
The InChIKey is BPNGOQBQJXAABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-21-18(24)14-22-11-9-20(10-12-22)15-23(19(25)26-20)13-16(2)17-7-5-4-6-8-17/h4-8,16H,3,9-15H2,1-2H3,(H,21,24).
What are the key properties of N-ethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide?
N-ethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 70779385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).