2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide

C28H41N3O3 — CID 32662300

IUPAC2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1cc(CNCC2(N(C)C)CCCCC2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C28H41N3O3/c1-20-14-21(2)27(22(3)15-20)30-26(32)18-34-24-11-10-23(16-25(24)33-6)17-29-19-28(31(4)5)12-8-7-9-13-28/h10-11,14-16,29H,7-9,12-13,17-19H2,1-6H3,(H,30,32)
InChIKeyCPJHCKZXPBCIQE-UHFFFAOYSA-N
MW467.65 g/mol
LogP4.99
Rot. Bonds10

About 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 32662300) has the molecular formula C28H41N3O3 and a molecular weight of 467.65 g/mol. Its IUPAC name is 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID32662300
Molecular FormulaC28H41N3O3
Molecular Weight467.65 g/mol
Exact Mass467.31
IUPAC Name2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1cc(CNCC2(N(C)C)CCCCC2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C28H41N3O3/c1-20-14-21(2)27(22(3)15-20)30-26(32)18-34-24-11-10-23(16-25(24)33-6)17-29-19-28(31(4)5)12-8-7-9-13-28/h10-11,14-16,29H,7-9,12-13,17-19H2,1-6H3,(H,30,32)
InChIKeyCPJHCKZXPBCIQE-UHFFFAOYSA-N
XLogP4.99
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.65
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Related Compounds

1-[[(3,4-dimethoxyphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912471
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol
CID 28621925
2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide
CID 32662343
N-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide
CID 109003093
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 7695867
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 20995004
2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 6903754
2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide
CID 45354772
2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
CID 66527897
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126382591
1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 45173198
N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109028281

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide (CID 32662300) is 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide is COc1cc(CNCC2(N(C)C)CCCCC2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is CPJHCKZXPBCIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O3/c1-20-14-21(2)27(22(3)15-20)30-26(32)18-34-24-11-10-23(16-25(24)33-6)17-29-19-28(31(4)5)12-8-7-9-13-28/h10-11,14-16,29H,7-9,12-13,17-19H2,1-6H3,(H,30,32).
What are the key properties of 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 467.65 g/mol, XLogP of 4.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 32662300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).