2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide

C26H45N3O3 — CID 32662343

IUPAC2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide
SMILESCCOc1cc(CNCC2(N(C)C)CCCCC2)ccc1OCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C26H45N3O3/c1-8-31-24-16-22(17-27-19-26(28(6)7)14-10-9-11-15-26)12-13-23(24)32-18-25(30)29(20(2)3)21(4)5/h12-13,16,20-21,27H,8-11,14-15,17-19H2,1-7H3
InChIKeyCSLPJBBKXLPVDD-UHFFFAOYSA-N
MW447.66 g/mol
LogP4.46
Rot. Bonds12

About 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide

2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide (PubChem CID 32662343) has the molecular formula C26H45N3O3 and a molecular weight of 447.66 g/mol. Its IUPAC name is 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide
PubChem CID32662343
Molecular FormulaC26H45N3O3
Molecular Weight447.66 g/mol
Exact Mass447.35
IUPAC Name2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide
SMILESCCOc1cc(CNCC2(N(C)C)CCCCC2)ccc1OCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C26H45N3O3/c1-8-31-24-16-22(17-27-19-26(28(6)7)14-10-9-11-15-26)12-13-23(24)32-18-25(30)29(20(2)3)21(4)5/h12-13,16,20-21,27H,8-11,14-15,17-19H2,1-7H3
InChIKeyCSLPJBBKXLPVDD-UHFFFAOYSA-N
XLogP4.46
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.66
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide with MolForge

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Related Compounds

2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide
CID 119108457
2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 32662300
1-[[(3,4-dimethoxyphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912471
2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278166
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol
CID 28621925
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 52841333
2-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 120909628
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclopentan-1-ol
CID 111114413
1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 45173198
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60905074
1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-1-ol
CID 75445674
N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 4717022

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide (CID 32662343) is 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide is CCOc1cc(CNCC2(N(C)C)CCCCC2)ccc1OCC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide?
The InChIKey is CSLPJBBKXLPVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N3O3/c1-8-31-24-16-22(17-27-19-26(28(6)7)14-10-9-11-15-26)12-13-23(24)32-18-25(30)29(20(2)3)21(4)5/h12-13,16,20-21,27H,8-11,14-15,17-19H2,1-7H3.
What are the key properties of 2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide?
2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide has a molecular weight of 447.66 g/mol, XLogP of 4.46, 12 rotatable bonds, 1 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-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 32662343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).