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

C20H23NO4 — CID 4252995

IUPACpropan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate
SMILESCc1ccc(NC(=O)c2ccc(OC(C)C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-13(2)24-20(23)15(4)25-18-11-7-16(8-12-18)19(22)21-17-9-5-14(3)6-10-17/h5-13,15H,1-4H3,(H,21,22)
InChIKeyTVQWBZALTQEEAS-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.97
Rot. Bonds6

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

propan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate (PubChem CID 4252995) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is propan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate
PubChem CID4252995
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namepropan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate
SMILESCc1ccc(NC(=O)c2ccc(OC(C)C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-13(2)24-20(23)15(4)25-18-11-7-16(8-12-18)19(22)21-17-9-5-14(3)6-10-17/h5-13,15H,1-4H3,(H,21,22)
InChIKeyTVQWBZALTQEEAS-UHFFFAOYSA-N
XLogP3.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate
CID 53265852
propan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3712073
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
CID 718345
methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
CID 3663936
N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 26906168
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate
CID 53267249
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833485
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 5087489
N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 17199498

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of propan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate (CID 4252995) is propan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for propan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for propan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate is Cc1ccc(NC(=O)c2ccc(OC(C)C(=O)OC(C)C)cc2)cc1.
What is the InChIKey of propan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is TVQWBZALTQEEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13(2)24-20(23)15(4)25-18-11-7-16(8-12-18)19(22)21-17-9-5-14(3)6-10-17/h5-13,15H,1-4H3,(H,21,22).
What are the key properties of propan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate?
propan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 341.41 g/mol, XLogP of 3.97, 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-[(4-methylphenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 4252995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).