methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate

C23H29NO3 — CID 58149067

IUPACmethyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CNC2CCCC2)c1
InChIInChI=1S/C23H29NO3/c1-16-8-10-20(18(12-16)15-24-19-6-4-5-7-19)21-13-17(14-23(25)27-3)9-11-22(21)26-2/h8-13,19,24H,4-7,14-15H2,1-3H3
InChIKeyXZSGPXBQMGVARV-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.42
Rot. Bonds7

About methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate

methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate (PubChem CID 58149067) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate
PubChem CID58149067
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Namemethyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CNC2CCCC2)c1
InChIInChI=1S/C23H29NO3/c1-16-8-10-20(18(12-16)15-24-19-6-4-5-7-19)21-13-17(14-23(25)27-3)9-11-22(21)26-2/h8-13,19,24H,4-7,14-15H2,1-3H3
InChIKeyXZSGPXBQMGVARV-UHFFFAOYSA-N
XLogP4.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-[(cyclopropylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58148950
methyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate
CID 159258346
N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 66161691
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
methyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate
CID 167777930
methyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate
CID 58148996
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate
CID 58460068
2-[3-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58148955
N-[(2,4-dimethoxy-3-methylphenyl)methyl]cyclohexanamine;oxalic acid
CID 2849724
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875
methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate
CID 115461578

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate?
The IUPAC name of methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate (CID 58149067) is methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate.
What is the SMILES notation for methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate?
The canonical SMILES for methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate is COC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CNC2CCCC2)c1.
What is the InChIKey of methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate?
The InChIKey is XZSGPXBQMGVARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-16-8-10-20(18(12-16)15-24-19-6-4-5-7-19)21-13-17(14-23(25)27-3)9-11-22(21)26-2/h8-13,19,24H,4-7,14-15H2,1-3H3.
What are the key properties of methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate?
methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate has a molecular weight of 367.49 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate is sourced from PubChem (CID 58149067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).