ethyl 2-methyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl-pentylamino]phenoxy]propanoate

C24H33N3O4 — CID 71816252

IUPACethyl 2-methyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl-pentylamino]phenoxy]propanoate
SMILESCCCCCN(C(=O)Nc1ccc(C)cn1)c1ccc(OC(C)(C)C(=O)OCC)cc1
InChIInChI=1S/C24H33N3O4/c1-6-8-9-16-27(23(29)26-21-15-10-18(3)17-25-21)19-11-13-20(14-12-19)31-24(4,5)22(28)30-7-2/h10-15,17H,6-9,16H2,1-5H3,(H,25,26,29)
InChIKeyCUYGVHXAWUCYKW-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.34
Rot. Bonds10

About ethyl 2-methyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl-pentylamino]phenoxy]propanoate

ethyl 2-methyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl-pentylamino]phenoxy]propanoate (PubChem CID 71816252) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is ethyl 2-methyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl-pentylamino]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl-pentylamino]phenoxy]propanoate
PubChem CID71816252
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Nameethyl 2-methyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl-pentylamino]phenoxy]propanoate
SMILESCCCCCN(C(=O)Nc1ccc(C)cn1)c1ccc(OC(C)(C)C(=O)OCC)cc1
InChIInChI=1S/C24H33N3O4/c1-6-8-9-16-27(23(29)26-21-15-10-18(3)17-25-21)19-11-13-20(14-12-19)31-24(4,5)22(28)30-7-2/h10-15,17H,6-9,16H2,1-5H3,(H,25,26,29)
InChIKeyCUYGVHXAWUCYKW-UHFFFAOYSA-N
XLogP5.34
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-pentylamino]phenoxy]propanoate
CID 71816248
ethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate
CID 71816236
ethyl 2-[4-[[[(4-bromo-2,6-dimethylphenyl)-heptylcarbamoyl]amino]methyl]phenoxy]-2-methylpropanoate
CID 67686143
ethyl 2-[4-(heptylamino)phenoxy]-2-methylpropanoate
CID 59036087
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
ethyl 2-[4-[[(4-chlorophenyl)carbamoyl-dodecylamino]methyl]phenoxy]-2-methylpropanoate
CID 22924160
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
ethyl 2-[4-[[heptyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenoxy]-2-methylpropanoate
CID 23192945
ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate
CID 156541205
2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid
CID 71816237
1-hexyl-3-(5-methyl-2-pyridinyl)urea
CID 158285971
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl-pentylamino]phenoxy]propanoate?
The IUPAC name of ethyl 2-methyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl-pentylamino]phenoxy]propanoate (CID 71816252) is ethyl 2-methyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl-pentylamino]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl-pentylamino]phenoxy]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl-pentylamino]phenoxy]propanoate is CCCCCN(C(=O)Nc1ccc(C)cn1)c1ccc(OC(C)(C)C(=O)OCC)cc1.
What is the InChIKey of ethyl 2-methyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl-pentylamino]phenoxy]propanoate?
The InChIKey is CUYGVHXAWUCYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-6-8-9-16-27(23(29)26-21-15-10-18(3)17-25-21)19-11-13-20(14-12-19)31-24(4,5)22(28)30-7-2/h10-15,17H,6-9,16H2,1-5H3,(H,25,26,29).
What are the key properties of ethyl 2-methyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl-pentylamino]phenoxy]propanoate?
ethyl 2-methyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl-pentylamino]phenoxy]propanoate has a molecular weight of 427.55 g/mol, XLogP of 5.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl-pentylamino]phenoxy]propanoate is sourced from PubChem (CID 71816252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).