2-[(6R)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

C22H34N4O3 — CID 97122109

IUPAC2-[(6R)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2CCN(C)[C@@]3(CCC(=O)N(C)CC3)C2)cc1
InChIInChI=1S/C22H34N4O3/c1-24-13-11-22(10-8-21(24)28)17-26(15-14-25(22)2)16-20(27)23-12-9-18-4-6-19(29-3)7-5-18/h4-7H,8-17H2,1-3H3,(H,23,27)/t22-/m1/s1
InChIKeyYUHOILLEKGQEKT-JOCHJYFZSA-N
MW402.54 g/mol
LogP0.98
Rot. Bonds6

About 2-[(6R)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-[(6R)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 97122109) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[(6R)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(6R)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID97122109
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name2-[(6R)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2CCN(C)[C@@]3(CCC(=O)N(C)CC3)C2)cc1
InChIInChI=1S/C22H34N4O3/c1-24-13-11-22(10-8-21(24)28)17-26(15-14-25(22)2)16-20(27)23-12-9-18-4-6-19(29-3)7-5-18/h4-7H,8-17H2,1-3H3,(H,23,27)/t22-/m1/s1
InChIKeyYUHOILLEKGQEKT-JOCHJYFZSA-N
XLogP0.98
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 154919774
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8529199
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
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CID 95313734
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CID 110686711
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CID 27150831
N-[2-(4-methoxyphenyl)ethyl]-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 42541171
N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide
CID 175645484
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 71903899
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 4844140
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Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(6R)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 97122109) is 2-[(6R)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(6R)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(6R)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN2CCN(C)[C@@]3(CCC(=O)N(C)CC3)C2)cc1.
What is the InChIKey of 2-[(6R)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is YUHOILLEKGQEKT-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-24-13-11-22(10-8-21(24)28)17-26(15-14-25(22)2)16-20(27)23-12-9-18-4-6-19(29-3)7-5-18/h4-7H,8-17H2,1-3H3,(H,23,27)/t22-/m1/s1.
What are the key properties of 2-[(6R)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[(6R)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 402.54 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 97122109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).