2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide

C22H28N2O3 — CID 2959909

IUPAC2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide
SMILESCCOc1cc(CNC2CCCC2)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-2-26-21-14-17(15-23-18-8-6-7-9-18)12-13-20(21)27-16-22(25)24-19-10-4-3-5-11-19/h3-5,10-14,18,23H,2,6-9,15-16H2,1H3,(H,24,25)
InChIKeyYFASBRYEKGXVOV-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.14
Rot. Bonds9

About 2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide

2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide (PubChem CID 2959909) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide
PubChem CID2959909
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide
SMILESCCOc1cc(CNC2CCCC2)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-2-26-21-14-17(15-23-18-8-6-7-9-18)12-13-20(21)27-16-22(25)24-19-10-4-3-5-11-19/h3-5,10-14,18,23H,2,6-9,15-16H2,1H3,(H,24,25)
InChIKeyYFASBRYEKGXVOV-UHFFFAOYSA-N
XLogP4.14
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 2986953
2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 17213450
2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 60590256
2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 30610439
2-[2-ethoxy-4-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 30614052
2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide
CID 47008244
2-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-2-ethoxyphenoxy]-N-phenylacetamide;hydrochloride
CID 120909016
2-[2-ethoxy-4-(methylaminomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 19589313
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 2982194
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
CID 66528287
N-[[4-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]methyl]cyclopropanamine
CID 79168172

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide?
The IUPAC name of 2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide (CID 2959909) is 2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide is CCOc1cc(CNC2CCCC2)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide?
The InChIKey is YFASBRYEKGXVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-2-26-21-14-17(15-23-18-8-6-7-9-18)12-13-20(21)27-16-22(25)24-19-10-4-3-5-11-19/h3-5,10-14,18,23H,2,6-9,15-16H2,1H3,(H,24,25).
What are the key properties of 2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide?
2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide has a molecular weight of 368.48 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide is sourced from PubChem (CID 2959909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).