methyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate

C24H23NO4 — CID 59509332

IUPACmethyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1NC(C)=O
InChIInChI=1S/C24H23NO4/c1-17(26)25-23-14-20(8-9-21(23)15-24(27)28-2)19-10-12-22(13-11-19)29-16-18-6-4-3-5-7-18/h3-14H,15-16H2,1-2H3,(H,25,26)
InChIKeyKJSCBTXDNUUQJV-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.61
Rot. Bonds7

About methyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate

methyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate (PubChem CID 59509332) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is methyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate
PubChem CID59509332
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Namemethyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1NC(C)=O
InChIInChI=1S/C24H23NO4/c1-17(26)25-23-14-20(8-9-21(23)15-24(27)28-2)19-10-12-22(13-11-19)29-16-18-6-4-3-5-7-18/h3-14H,15-16H2,1-2H3,(H,25,26)
InChIKeyKJSCBTXDNUUQJV-UHFFFAOYSA-N
XLogP4.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate
CID 86073966
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid
CID 90976255
methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate
CID 176907071
methyl 2-(2-hydroxy-5-phenylphenyl)acetate
CID 174533369
N-(7-phenylmethoxynaphthalen-1-yl)acetamide
CID 91699937
2-[2-nitro-4-(4-phenylmethoxyphenyl)phenyl]acetic acid
CID 67546640
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide
CID 67308831
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate
CID 141452620
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate?
The IUPAC name of methyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate (CID 59509332) is methyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate?
The canonical SMILES for methyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate is COC(=O)Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1NC(C)=O.
What is the InChIKey of methyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate?
The InChIKey is KJSCBTXDNUUQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-17(26)25-23-14-20(8-9-21(23)15-24(27)28-2)19-10-12-22(13-11-19)29-16-18-6-4-3-5-7-18/h3-14H,15-16H2,1-2H3,(H,25,26).
What are the key properties of methyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate?
methyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate has a molecular weight of 389.45 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate is sourced from PubChem (CID 59509332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).