ethyl 2-[4-[4-[2-[(3-chlorobenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoate

C27H28ClNO4 — CID 160603000

IUPACethyl 2-[4-[4-[2-[(3-chlorobenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(-c2ccc(CCNC(=O)c3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C27H28ClNO4/c1-4-32-26(31)27(2,3)33-24-14-12-21(13-15-24)20-10-8-19(9-11-20)16-17-29-25(30)22-6-5-7-23(28)18-22/h5-15,18H,4,16-17H2,1-3H3,(H,29,30)
InChIKeyRENGRDNTPWCHBV-UHFFFAOYSA-N
MW465.98 g/mol
LogP5.70
Rot. Bonds9

About ethyl 2-[4-[4-[2-[(3-chlorobenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoate

ethyl 2-[4-[4-[2-[(3-chlorobenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoate (PubChem CID 160603000) has the molecular formula C27H28ClNO4 and a molecular weight of 465.98 g/mol. Its IUPAC name is ethyl 2-[4-[4-[2-[(3-chlorobenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-[4-[2-[(3-chlorobenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoate
PubChem CID160603000
Molecular FormulaC27H28ClNO4
Molecular Weight465.98 g/mol
Exact Mass465.17
IUPAC Nameethyl 2-[4-[4-[2-[(3-chlorobenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(-c2ccc(CCNC(=O)c3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C27H28ClNO4/c1-4-32-26(31)27(2,3)33-24-14-12-21(13-15-24)20-10-8-19(9-11-20)16-17-29-25(30)22-6-5-7-23(28)18-22/h5-15,18H,4,16-17H2,1-3H3,(H,29,30)
InChIKeyRENGRDNTPWCHBV-UHFFFAOYSA-N
XLogP5.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.98
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-[4-[2-[(3-chlorobenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoate 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-methyl-2-[4-[4-[2-[(4-methylbenzoyl)amino]ethyl]phenyl]phenoxy]propanoate
CID 21451956
methyl 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoate
CID 125389450
ethyl 2-methyl-2-[4-[2-[[2-methyl-2-(3-methylphenoxy)propanoyl]amino]ethyl]phenoxy]propanoate
CID 21322656
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
ethyl 2-methyl-2-[4-[2-(3-phenylbut-2-enoylamino)ethyl]phenoxy]propanoate
CID 70613150
ethyl 2-methyl-2-[4-[2-(2-phenylethylamino)ethyl]phenoxy]propanoate
CID 59298851
[2-[4-[2-[(4-chloro-3-methylbenzoyl)amino]ethyl]phenoxy]-2-methylpropanoyl]oxymethyl 2-(aminomethyl)butanoate
CID 139547582
[(2S)-2-aminopropanoyl]oxymethyl 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoate
CID 139547470
4-chloro-N-[2-[4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]ethyl]benzamide;ethane;propane
CID 144618538
3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889424
ethyl 2-methyl-2-[4-[2-(3-phenylpropylamino)ethyl]phenoxy]propanoate
CID 69099777
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[4-[2-[(3-chlorobenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-[4-[2-[(3-chlorobenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoate (CID 160603000) is ethyl 2-[4-[4-[2-[(3-chlorobenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-[4-[2-[(3-chlorobenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-[4-[2-[(3-chlorobenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1ccc(-c2ccc(CCNC(=O)c3cccc(Cl)c3)cc2)cc1.
What is the InChIKey of ethyl 2-[4-[4-[2-[(3-chlorobenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoate?
The InChIKey is RENGRDNTPWCHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClNO4/c1-4-32-26(31)27(2,3)33-24-14-12-21(13-15-24)20-10-8-19(9-11-20)16-17-29-25(30)22-6-5-7-23(28)18-22/h5-15,18H,4,16-17H2,1-3H3,(H,29,30).
What are the key properties of ethyl 2-[4-[4-[2-[(3-chlorobenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoate?
ethyl 2-[4-[4-[2-[(3-chlorobenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoate has a molecular weight of 465.98 g/mol, XLogP of 5.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[4-[2-[(3-chlorobenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoate is sourced from PubChem (CID 160603000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).