2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate

C21H24ClNO5 — CID 4245145

IUPAC2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate
SMILESCOc1ccc(NC(=O)c2ccc(OC(C)C(=O)OCC(C)C)cc2)cc1Cl
InChIInChI=1S/C21H24ClNO5/c1-13(2)12-27-21(25)14(3)28-17-8-5-15(6-9-17)20(24)23-16-7-10-19(26-4)18(22)11-16/h5-11,13-14H,12H2,1-4H3,(H,23,24)
InChIKeyHVZZYGMHXVNGBN-UHFFFAOYSA-N
MW405.88 g/mol
LogP4.57
Rot. Bonds8

About 2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate

2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate (PubChem CID 4245145) has the molecular formula C21H24ClNO5 and a molecular weight of 405.88 g/mol. Its IUPAC name is 2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Name2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate
PubChem CID4245145
Molecular FormulaC21H24ClNO5
Molecular Weight405.88 g/mol
Exact Mass405.13
IUPAC Name2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate
SMILESCOc1ccc(NC(=O)c2ccc(OC(C)C(=O)OCC(C)C)cc2)cc1Cl
InChIInChI=1S/C21H24ClNO5/c1-13(2)12-27-21(25)14(3)28-17-8-5-15(6-9-17)20(24)23-16-7-10-19(26-4)18(22)11-16/h5-11,13-14H,12H2,1-4H3,(H,23,24)
InChIKeyHVZZYGMHXVNGBN-UHFFFAOYSA-N
XLogP4.57
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 5087489
2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
CID 3663940
4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
CID 17141302
N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968265
4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043950
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate
CID 4064798
N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 44637774
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108991931
N-(3-chloro-4-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953719

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of 2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate (CID 4245145) is 2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for 2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for 2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate is COc1ccc(NC(=O)c2ccc(OC(C)C(=O)OCC(C)C)cc2)cc1Cl.
What is the InChIKey of 2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is HVZZYGMHXVNGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO5/c1-13(2)12-27-21(25)14(3)28-17-8-5-15(6-9-17)20(24)23-16-7-10-19(26-4)18(22)11-16/h5-11,13-14H,12H2,1-4H3,(H,23,24).
What are the key properties of 2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate?
2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 405.88 g/mol, XLogP of 4.57, 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-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 4245145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).