2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide

C17H30N2O3 — CID 87017401

IUPAC2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
SMILESCCN(CC(=O)NC1CCC2(CC1)OCCO2)C1CCCC1
InChIInChI=1S/C17H30N2O3/c1-2-19(15-5-3-4-6-15)13-16(20)18-14-7-9-17(10-8-14)21-11-12-22-17/h14-15H,2-13H2,1H3,(H,18,20)
InChIKeyIPYFJUBBKPDOJZ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.05
Rot. Bonds5

About 2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide

2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide (PubChem CID 87017401) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound Name2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
PubChem CID87017401
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
SMILESCCN(CC(=O)NC1CCC2(CC1)OCCO2)C1CCCC1
InChIInChI=1S/C17H30N2O3/c1-2-19(15-5-3-4-6-15)13-16(20)18-14-7-9-17(10-8-14)21-11-12-22-17/h14-15H,2-13H2,1H3,(H,18,20)
InChIKeyIPYFJUBBKPDOJZ-UHFFFAOYSA-N
XLogP2.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]acetamide
CID 79120233
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide
CID 47541039
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide
CID 95172614
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide
CID 112729599
N-cyclopentyl-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 102852259
2-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 112729642
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide
CID 60509333
2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 60508609
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethylbutanamide
CID 78918296
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 60500114
2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 60505073
2-[cyclohexyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide
CID 60694014

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of 2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide (CID 87017401) is 2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for 2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for 2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide is CCN(CC(=O)NC1CCC2(CC1)OCCO2)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is IPYFJUBBKPDOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-2-19(15-5-3-4-6-15)13-16(20)18-14-7-9-17(10-8-14)21-11-12-22-17/h14-15H,2-13H2,1H3,(H,18,20).
What are the key properties of 2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 310.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 87017401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).