2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide

C16H28N2O3 — CID 84598754

IUPAC2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
SMILESCCN(CC(=O)NCC1COC2(CCCCC2)O1)C1CC1
InChIInChI=1S/C16H28N2O3/c1-2-18(13-6-7-13)11-15(19)17-10-14-12-20-16(21-14)8-4-3-5-9-16/h13-14H,2-12H2,1H3,(H,17,19)
InChIKeyNFJIKPHSOOUFQX-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.66
Rot. Bonds6

About 2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide

2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide (PubChem CID 84598754) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
PubChem CID84598754
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
SMILESCCN(CC(=O)NCC1COC2(CCCCC2)O1)C1CC1
InChIInChI=1S/C16H28N2O3/c1-2-18(13-6-7-13)11-15(19)17-10-14-12-20-16(21-14)8-4-3-5-9-16/h13-14H,2-12H2,1H3,(H,17,19)
InChIKeyNFJIKPHSOOUFQX-UHFFFAOYSA-N
XLogP1.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(1,4-dioxaspiro[4.5]decan-3-ylmethylcarbamoylamino)cyclobutyl]-ethylamino]acetic acid
CID 122009073
N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide
CID 51474688
N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-ethyloxamide
CID 7647063
N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide
CID 7645652
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide
CID 18583865
2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide
CID 97258947
N'-cyclopropyl-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7646222
1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea
CID 84598749
N'-cycloheptyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18583998
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methylpropyl)oxamide
CID 18583869
N'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
CID 18583844
2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
CID 18583785

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide (CID 84598754) is 2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide is CCN(CC(=O)NCC1COC2(CCCCC2)O1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide?
The InChIKey is NFJIKPHSOOUFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-18(13-6-7-13)11-15(19)17-10-14-12-20-16(21-14)8-4-3-5-9-16/h13-14H,2-12H2,1H3,(H,17,19).
What are the key properties of 2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide?
2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide has a molecular weight of 296.41 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide is sourced from PubChem (CID 84598754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).