2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide

C22H31N3O2 — CID 70734421

IUPAC2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide
SMILESC=CCN1CC2(CCC1=O)CCN(CC(=O)NC(C)c1ccccc1)CC2
InChIInChI=1S/C22H31N3O2/c1-3-13-25-17-22(10-9-21(25)27)11-14-24(15-12-22)16-20(26)23-18(2)19-7-5-4-6-8-19/h3-8,18H,1,9-17H2,2H3,(H,23,26)
InChIKeyKUCVKEBIAYJNOI-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.75
Rot. Bonds6

About 2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide

2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide (PubChem CID 70734421) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide
PubChem CID70734421
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide
SMILESC=CCN1CC2(CCC1=O)CCN(CC(=O)NC(C)c1ccccc1)CC2
InChIInChI=1S/C22H31N3O2/c1-3-13-25-17-22(10-9-21(25)27)11-14-24(15-12-22)16-20(26)23-18(2)19-7-5-4-6-8-19/h3-8,18H,1,9-17H2,2H3,(H,23,26)
InChIKeyKUCVKEBIAYJNOI-UHFFFAOYSA-N
XLogP2.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-oxo-9-(3-phenylbutyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 70712410
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
9-(3-methylsulfanylbutyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72939168
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30722668
ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8932163
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 42906380
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8963123
2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40813283
N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 18125323
N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103532

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide (CID 70734421) is 2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide is C=CCN1CC2(CCC1=O)CCN(CC(=O)NC(C)c1ccccc1)CC2.
What is the InChIKey of 2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is KUCVKEBIAYJNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-3-13-25-17-22(10-9-21(25)27)11-14-24(15-12-22)16-20(26)23-18(2)19-7-5-4-6-8-19/h3-8,18H,1,9-17H2,2H3,(H,23,26).
What are the key properties of 2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide?
2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 369.51 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 70734421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).