2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate

C21H25NO5 — CID 5087489

IUPAC2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate
SMILESCOc1ccc(NC(=O)c2ccc(OC(C)C(=O)OCC(C)C)cc2)cc1
InChIInChI=1S/C21H25NO5/c1-14(2)13-26-21(24)15(3)27-19-9-5-16(6-10-19)20(23)22-17-7-11-18(25-4)12-8-17/h5-12,14-15H,13H2,1-4H3,(H,22,23)
InChIKeyBPZDBCHCHRLNIO-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.91
Rot. Bonds8

About 2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate

2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate (PubChem CID 5087489) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Name2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate
PubChem CID5087489
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate
SMILESCOc1ccc(NC(=O)c2ccc(OC(C)C(=O)OCC(C)C)cc2)cc1
InChIInChI=1S/C21H25NO5/c1-14(2)13-26-21(24)15(3)27-19-9-5-16(6-10-19)20(23)22-17-7-11-18(25-4)12-8-17/h5-12,14-15H,13H2,1-4H3,(H,22,23)
InChIKeyBPZDBCHCHRLNIO-UHFFFAOYSA-N
XLogP3.91
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
CID 3663940
2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 732519
2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 4245145
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
CID 3663936
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 8884358
2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate
CID 4064798
propan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate
CID 4252995
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate
CID 53265852
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of 2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate (CID 5087489) is 2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for 2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for 2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate is COc1ccc(NC(=O)c2ccc(OC(C)C(=O)OCC(C)C)cc2)cc1.
What is the InChIKey of 2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is BPZDBCHCHRLNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-14(2)13-26-21(24)15(3)27-19-9-5-16(6-10-19)20(23)22-17-7-11-18(25-4)12-8-17/h5-12,14-15H,13H2,1-4H3,(H,22,23).
What are the key properties of 2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate?
2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 371.43 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 5087489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).