ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate

C20H24ClNO4 — CID 170885623

IUPACethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(OC)c(COc2ccc(C)cc2Cl)c1
InChIInChI=1S/C20H24ClNO4/c1-4-25-20(23)17(22)11-14-6-8-18(24-3)15(10-14)12-26-19-7-5-13(2)9-16(19)21/h5-10,17H,4,11-12,22H2,1-3H3
InChIKeyCKQRJJIMHPNRHE-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.67
Rot. Bonds8

About ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate

ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate (PubChem CID 170885623) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate
PubChem CID170885623
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC Nameethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(OC)c(COc2ccc(C)cc2Cl)c1
InChIInChI=1S/C20H24ClNO4/c1-4-25-20(23)17(22)11-14-6-8-18(24-3)15(10-14)12-26-19-7-5-13(2)9-16(19)21/h5-10,17H,4,11-12,22H2,1-3H3
InChIKeyCKQRJJIMHPNRHE-UHFFFAOYSA-N
XLogP3.67
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]propanoate
CID 165351321
ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
CID 170885406
[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62671085
methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
CID 170883906
1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627244
pentyl 2-amino-3-(3-chloro-4-methoxyphenyl)propanoate
CID 5276844
ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate
CID 11043551
methyl 3-[3-(acetyloxymethyl)-4-methoxyphenyl]-2-aminopropanoate
CID 170883870
2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid
CID 70910343
ethyl 2-amino-3-[3-[(4-chloro-3-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]propanoate
CID 170885327
ethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate
CID 142664722
ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate
CID 170885808

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate?
The IUPAC name of ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate (CID 170885623) is ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate is CCOC(=O)C(N)Cc1ccc(OC)c(COc2ccc(C)cc2Cl)c1.
What is the InChIKey of ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate?
The InChIKey is CKQRJJIMHPNRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-4-25-20(23)17(22)11-14-6-8-18(24-3)15(10-14)12-26-19-7-5-13(2)9-16(19)21/h5-10,17H,4,11-12,22H2,1-3H3.
What are the key properties of ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate?
ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate has a molecular weight of 377.87 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate is sourced from PubChem (CID 170885623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).