3-(2-methoxyphenoxy)-N-[2-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,2-diazaspiro[4.7]dodecan-4-yl]propanamide

C32H46N4O5 — CID 171654423

IUPAC3-(2-methoxyphenoxy)-N-[2-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,2-diazaspiro[4.7]dodecan-4-yl]propanamide
SMILESCOc1ccccc1OCCC(=O)NC1CN(CC(=O)N(C)CCOc2ccc(C)cc2)NC12CCCCCCC2
InChIInChI=1S/C32H46N4O5/c1-25-13-15-26(16-14-25)40-22-20-35(2)31(38)24-36-23-29(32(34-36)18-9-5-4-6-10-19-32)33-30(37)17-21-41-28-12-8-7-11-27(28)39-3/h7-8,11-16,29,34H,4-6,9-10,17-24H2,1-3H3,(H,33,37)
InChIKeyFSHVTDIHDHUOPY-UHFFFAOYSA-N
MW566.74 g/mol
LogP4.10
Rot. Bonds12

About 3-(2-methoxyphenoxy)-N-[2-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,2-diazaspiro[4.7]dodecan-4-yl]propanamide

3-(2-methoxyphenoxy)-N-[2-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,2-diazaspiro[4.7]dodecan-4-yl]propanamide (PubChem CID 171654423) has the molecular formula C32H46N4O5 and a molecular weight of 566.74 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-N-[2-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,2-diazaspiro[4.7]dodecan-4-yl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-N-[2-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,2-diazaspiro[4.7]dodecan-4-yl]propanamide
PubChem CID171654423
Molecular FormulaC32H46N4O5
Molecular Weight566.74 g/mol
Exact Mass566.35
IUPAC Name3-(2-methoxyphenoxy)-N-[2-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,2-diazaspiro[4.7]dodecan-4-yl]propanamide
SMILESCOc1ccccc1OCCC(=O)NC1CN(CC(=O)N(C)CCOc2ccc(C)cc2)NC12CCCCCCC2
InChIInChI=1S/C32H46N4O5/c1-25-13-15-26(16-14-25)40-22-20-35(2)31(38)24-36-23-29(32(34-36)18-9-5-4-6-10-19-32)33-30(37)17-21-41-28-12-8-7-11-27(28)39-3/h7-8,11-16,29,34H,4-6,9-10,17-24H2,1-3H3,(H,33,37)
InChIKeyFSHVTDIHDHUOPY-UHFFFAOYSA-N
XLogP4.10
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.74
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]-2-piperidin-1-ylacetamide
CID 3043477
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 43035395
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 47012630
3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 166148005
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 60938139
N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
CID 17485630
4-(methoxymethyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120623439
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 55431045
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119294047
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide
CID 119565773
1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81157933
N-[(2-methoxyphenyl)methyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 41416179

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-N-[2-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,2-diazaspiro[4.7]dodecan-4-yl]propanamide?
The IUPAC name of 3-(2-methoxyphenoxy)-N-[2-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,2-diazaspiro[4.7]dodecan-4-yl]propanamide (CID 171654423) is 3-(2-methoxyphenoxy)-N-[2-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,2-diazaspiro[4.7]dodecan-4-yl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenoxy)-N-[2-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,2-diazaspiro[4.7]dodecan-4-yl]propanamide?
The canonical SMILES for 3-(2-methoxyphenoxy)-N-[2-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,2-diazaspiro[4.7]dodecan-4-yl]propanamide is COc1ccccc1OCCC(=O)NC1CN(CC(=O)N(C)CCOc2ccc(C)cc2)NC12CCCCCCC2.
What is the InChIKey of 3-(2-methoxyphenoxy)-N-[2-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,2-diazaspiro[4.7]dodecan-4-yl]propanamide?
The InChIKey is FSHVTDIHDHUOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N4O5/c1-25-13-15-26(16-14-25)40-22-20-35(2)31(38)24-36-23-29(32(34-36)18-9-5-4-6-10-19-32)33-30(37)17-21-41-28-12-8-7-11-27(28)39-3/h7-8,11-16,29,34H,4-6,9-10,17-24H2,1-3H3,(H,33,37).
What are the key properties of 3-(2-methoxyphenoxy)-N-[2-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,2-diazaspiro[4.7]dodecan-4-yl]propanamide?
3-(2-methoxyphenoxy)-N-[2-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,2-diazaspiro[4.7]dodecan-4-yl]propanamide has a molecular weight of 566.74 g/mol, XLogP of 4.10, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-N-[2-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,2-diazaspiro[4.7]dodecan-4-yl]propanamide is sourced from PubChem (CID 171654423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).