propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate

C21H25NO4 — CID 5065242

IUPACpropyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
SMILESCCCOC(=O)C(C)Oc1ccc(C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H25NO4/c1-5-12-25-21(24)16(4)26-18-9-7-17(8-10-18)20(23)22-19-11-6-14(2)13-15(19)3/h6-11,13,16H,5,12H2,1-4H3,(H,22,23)
InChIKeyYFTMALMFQLHRBQ-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.28
Rot. Bonds7

About propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate

propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate (PubChem CID 5065242) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Namepropyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
PubChem CID5065242
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Namepropyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
SMILESCCCOC(=O)C(C)Oc1ccc(C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H25NO4/c1-5-12-25-21(24)16(4)26-18-9-7-17(8-10-18)20(23)22-19-11-6-14(2)13-15(19)3/h6-11,13,16H,5,12H2,1-4H3,(H,22,23)
InChIKeyYFTMALMFQLHRBQ-UHFFFAOYSA-N
XLogP4.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate 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

propan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3712073
(2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid
CID 7137692
4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide
CID 1224653
ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3690189
methyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
CID 3428091
propyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
CID 3543070
1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043157
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229096
methyl 2-[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]propanoate
CID 4231793
butyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
CID 5076941
4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109042965

Frequently Asked Questions

What is the IUPAC name of propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate (CID 5065242) is propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate is CCCOC(=O)C(C)Oc1ccc(C(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is YFTMALMFQLHRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-5-12-25-21(24)16(4)26-18-9-7-17(8-10-18)20(23)22-19-11-6-14(2)13-15(19)3/h6-11,13,16H,5,12H2,1-4H3,(H,22,23).
What are the key properties of propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate?
propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 355.43 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 5065242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).