[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate

C20H24N2O5 — CID 55750862

IUPAC[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)Oc2ccc(N(C)C(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O5/c1-14(2)21-20(24)22(3)15-5-7-18(8-6-15)27-19(23)13-26-17-11-9-16(25-4)10-12-17/h5-12,14H,13H2,1-4H3,(H,21,24)
InChIKeyZCBOBMRPTWPDCC-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.23
Rot. Bonds7

About [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate

[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate (PubChem CID 55750862) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate
PubChem CID55750862
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)Oc2ccc(N(C)C(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O5/c1-14(2)21-20(24)22(3)15-5-7-18(8-6-15)27-19(23)13-26-17-11-9-16(25-4)10-12-17/h5-12,14H,13H2,1-4H3,(H,21,24)
InChIKeyZCBOBMRPTWPDCC-UHFFFAOYSA-N
XLogP3.23
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)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

[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate
CID 55750737
[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(3-acetylphenoxy)acetate
CID 55827824
N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 47059923
(2S)-2-[[(4-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 62002877
(4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate
CID 167287233
1-(4-methoxyphenyl)-1,3-dimethylurea
CID 116655338
N-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 55864863
N-[(4-chlorophenyl)methyl]-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 55864990
(2S)-2-[[(4-methoxyphenyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 62001738
(2S)-3-hydroxy-2-[[(4-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 62001547
1-fluorosulfonyloxy-4-[methyl(propan-2-ylcarbamoyl)amino]benzene
CID 154880008
N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 60522144

Frequently Asked Questions

What is the IUPAC name of [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate (CID 55750862) is [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)Oc2ccc(N(C)C(=O)NC(C)C)cc2)cc1.
What is the InChIKey of [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is ZCBOBMRPTWPDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-14(2)21-20(24)22(3)15-5-7-18(8-6-15)27-19(23)13-26-17-11-9-16(25-4)10-12-17/h5-12,14H,13H2,1-4H3,(H,21,24).
What are the key properties of [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate?
[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 372.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 55750862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).