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

C21H25NO4 — CID 3712073

IUPACpropan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
SMILESCc1ccc(NC(=O)c2ccc(OC(C)C(=O)OC(C)C)cc2)c(C)c1
InChIInChI=1S/C21H25NO4/c1-13(2)25-21(24)16(5)26-18-9-7-17(8-10-18)20(23)22-19-11-6-14(3)12-15(19)4/h6-13,16H,1-5H3,(H,22,23)
InChIKeyGMRWKHAGWBMQMO-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.27
Rot. Bonds6

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

propan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate (PubChem CID 3712073) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is propan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
PubChem CID3712073
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Namepropan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
SMILESCc1ccc(NC(=O)c2ccc(OC(C)C(=O)OC(C)C)cc2)c(C)c1
InChIInChI=1S/C21H25NO4/c1-13(2)25-21(24)16(5)26-18-9-7-17(8-10-18)20(23)22-19-11-6-14(3)12-15(19)4/h6-13,16H,1-5H3,(H,22,23)
InChIKeyGMRWKHAGWBMQMO-UHFFFAOYSA-N
XLogP4.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid
CID 7137692
propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 5065242
propan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate
CID 4252995
4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide
CID 1224653
methyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
CID 3428091
1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043157
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
methyl 2-[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]propanoate
CID 4231793
N-(2-hydroxy-4-methylphenyl)-4-propan-2-yloxybenzamide
CID 27681755
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate
CID 53265852
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate
CID 53265910

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of propan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate (CID 3712073) is propan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for propan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for propan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate is Cc1ccc(NC(=O)c2ccc(OC(C)C(=O)OC(C)C)cc2)c(C)c1.
What is the InChIKey of propan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is GMRWKHAGWBMQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-13(2)25-21(24)16(5)26-18-9-7-17(8-10-18)20(23)22-19-11-6-14(3)12-15(19)4/h6-13,16H,1-5H3,(H,22,23).
What are the key properties of propan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate?
propan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 355.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 3712073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).