N-ethyl-N-[1-(3-phenylpropanoyl)-1-azaspiro[4.5]decan-3-yl]acetamide

C22H32N2O2 — CID 110130844

IUPACN-ethyl-N-[1-(3-phenylpropanoyl)-1-azaspiro[4.5]decan-3-yl]acetamide
SMILESCCN(C(C)=O)C1CN(C(=O)CCc2ccccc2)C2(CCCCC2)C1
InChIInChI=1S/C22H32N2O2/c1-3-23(18(2)25)20-16-22(14-8-5-9-15-22)24(17-20)21(26)13-12-19-10-6-4-7-11-19/h4,6-7,10-11,20H,3,5,8-9,12-17H2,1-2H3
InChIKeyQRPVIHUVAPCAGI-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.79
Rot. Bonds5

About N-ethyl-N-[1-(3-phenylpropanoyl)-1-azaspiro[4.5]decan-3-yl]acetamide

N-ethyl-N-[1-(3-phenylpropanoyl)-1-azaspiro[4.5]decan-3-yl]acetamide (PubChem CID 110130844) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-ethyl-N-[1-(3-phenylpropanoyl)-1-azaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(3-phenylpropanoyl)-1-azaspiro[4.5]decan-3-yl]acetamide
PubChem CID110130844
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN-ethyl-N-[1-(3-phenylpropanoyl)-1-azaspiro[4.5]decan-3-yl]acetamide
SMILESCCN(C(C)=O)C1CN(C(=O)CCc2ccccc2)C2(CCCCC2)C1
InChIInChI=1S/C22H32N2O2/c1-3-23(18(2)25)20-16-22(14-8-5-9-15-22)24(17-20)21(26)13-12-19-10-6-4-7-11-19/h4,6-7,10-11,20H,3,5,8-9,12-17H2,1-2H3
InChIKeyQRPVIHUVAPCAGI-UHFFFAOYSA-N
XLogP3.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide
CID 155983948
N-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-azaspiro[4.5]decan-3-yl]-N-ethylacetamide
CID 110130401
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
1-[(3R)-3-[ethyl(methyl)amino]-1-azaspiro[4.5]decan-1-yl]-2-pyridin-2-ylethanone
CID 124967719
N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 125026764
2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83076112
N-[1-acetyl-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide
CID 110130879
2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride
CID 56831881
1-amino-N-ethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 60947468
1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one
CID 47082882
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide
CID 113116586
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(3-phenylpropanoyl)-1-azaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-ethyl-N-[1-(3-phenylpropanoyl)-1-azaspiro[4.5]decan-3-yl]acetamide (CID 110130844) is N-ethyl-N-[1-(3-phenylpropanoyl)-1-azaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[1-(3-phenylpropanoyl)-1-azaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-ethyl-N-[1-(3-phenylpropanoyl)-1-azaspiro[4.5]decan-3-yl]acetamide is CCN(C(C)=O)C1CN(C(=O)CCc2ccccc2)C2(CCCCC2)C1.
What is the InChIKey of N-ethyl-N-[1-(3-phenylpropanoyl)-1-azaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is QRPVIHUVAPCAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-3-23(18(2)25)20-16-22(14-8-5-9-15-22)24(17-20)21(26)13-12-19-10-6-4-7-11-19/h4,6-7,10-11,20H,3,5,8-9,12-17H2,1-2H3.
What are the key properties of N-ethyl-N-[1-(3-phenylpropanoyl)-1-azaspiro[4.5]decan-3-yl]acetamide?
N-ethyl-N-[1-(3-phenylpropanoyl)-1-azaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 356.51 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(3-phenylpropanoyl)-1-azaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 110130844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).