2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide

C22H35N3O3 — CID 45354772

IUPAC2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide
SMILESCOc1cc(CNCC2(N3CCCCC3)CCCCC2)ccc1OCC(N)=O
InChIInChI=1S/C22H35N3O3/c1-27-20-14-18(8-9-19(20)28-16-21(23)26)15-24-17-22(10-4-2-5-11-22)25-12-6-3-7-13-25/h8-9,14,24H,2-7,10-13,15-17H2,1H3,(H2,23,26)
InChIKeyHTNYZPQGPUDYEN-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.84
Rot. Bonds9

About 2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide

2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide (PubChem CID 45354772) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide
PubChem CID45354772
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide
SMILESCOc1cc(CNCC2(N3CCCCC3)CCCCC2)ccc1OCC(N)=O
InChIInChI=1S/C22H35N3O3/c1-27-20-14-18(8-9-19(20)28-16-21(23)26)15-24-17-22(10-4-2-5-11-22)25-12-6-3-7-13-25/h8-9,14,24H,2-7,10-13,15-17H2,1H3,(H2,23,26)
InChIKeyHTNYZPQGPUDYEN-UHFFFAOYSA-N
XLogP2.84
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide
CID 94074154
1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129234
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
CID 56820860
1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129341
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 102536557
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride
CID 17289414
2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17209258
2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 2997355
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide (CID 45354772) is 2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide is COc1cc(CNCC2(N3CCCCC3)CCCCC2)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide?
The InChIKey is HTNYZPQGPUDYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-27-20-14-18(8-9-19(20)28-16-21(23)26)15-24-17-22(10-4-2-5-11-22)25-12-6-3-7-13-25/h8-9,14,24H,2-7,10-13,15-17H2,1H3,(H2,23,26).
What are the key properties of 2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide?
2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide has a molecular weight of 389.54 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide is sourced from PubChem (CID 45354772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).