2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide

C22H28N2O3 — CID 17213450

IUPAC2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cc(CNC2CCCC2)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H28N2O3/c1-16-7-10-19(11-8-16)24-22(25)15-27-20-12-9-17(13-21(20)26-2)14-23-18-5-3-4-6-18/h7-13,18,23H,3-6,14-15H2,1-2H3,(H,24,25)
InChIKeyKZRIKUXMOYLQHM-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.05
Rot. Bonds8

About 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide

2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 17213450) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
PubChem CID17213450
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cc(CNC2CCCC2)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H28N2O3/c1-16-7-10-19(11-8-16)24-22(25)15-27-20-12-9-17(13-21(20)26-2)14-23-18-5-3-4-6-18/h7-13,18,23H,3-6,14-15H2,1-2H3,(H,24,25)
InChIKeyKZRIKUXMOYLQHM-UHFFFAOYSA-N
XLogP4.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.05
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-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66525784
2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 2959909
2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
CID 66527897
2-[4-[(4-ethoxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 5187381
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875
2-[2-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 17210725
2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 17213470
2-[4-[(1,3-benzodioxol-5-ylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66525721
2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 2164253
2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 17213536
2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 17213460

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide (CID 17213450) is 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide is COc1cc(CNC2CCCC2)ccc1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is KZRIKUXMOYLQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16-7-10-19(11-8-16)24-22(25)15-27-20-12-9-17(13-21(20)26-2)14-23-18-5-3-4-6-18/h7-13,18,23H,3-6,14-15H2,1-2H3,(H,24,25).
What are the key properties of 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 4.05, 8 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-methoxyphenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 17213450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).