butyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate

C20H24N2O5 — CID 108871020

IUPACbutyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)NC(C)Oc1ccc(O)cc1
InChIInChI=1S/C20H24N2O5/c1-3-4-13-26-19(24)17-7-5-6-8-18(17)22-20(25)21-14(2)27-16-11-9-15(23)10-12-16/h5-12,14,23H,3-4,13H2,1-2H3,(H2,21,22,25)
InChIKeyYEXYCHSJJIZIQU-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.90
Rot. Bonds8

About butyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate

butyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate (PubChem CID 108871020) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is butyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate.

Molecular Properties

Compound Namebutyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate
PubChem CID108871020
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Namebutyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)NC(C)Oc1ccc(O)cc1
InChIInChI=1S/C20H24N2O5/c1-3-4-13-26-19(24)17-7-5-6-8-18(17)22-20(25)21-14(2)27-16-11-9-15(23)10-12-16/h5-12,14,23H,3-4,13H2,1-2H3,(H2,21,22,25)
InChIKeyYEXYCHSJJIZIQU-UHFFFAOYSA-N
XLogP3.90
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

butyl 2-[(2-sulfanylphenyl)carbamoylamino]benzoate
CID 108886349
butyl 2-[1-(4-bromophenyl)ethylcarbamoylamino]benzoate
CID 3692133
1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108870935
butyl 2-(3-propoxypropylcarbamoylamino)benzoate
CID 3677749
butyl 2-[(4-hydroxybenzoyl)oxymethyl]benzoate
CID 11681436
butyl 2-[3-(4-methylphenoxy)propylcarbamoylamino]benzoate
CID 108881291
2-phenoxyethyl 2-(propan-2-ylcarbamoylamino)benzoate
CID 46610276
butyl 2-(cyclopentylmethylcarbamoylamino)benzoate
CID 108902547
butyl 2-[(4-propylphenoxy)methylcarbamoylamino]benzoate
CID 108879441
dibutyl benzene-1,2-dicarboxylate
CID 69108201
butyl 2-[(4-bromophenyl)methylcarbamoylamino]benzoate
CID 108899421
butyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate
CID 22564926

Frequently Asked Questions

What is the IUPAC name of butyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate?
The IUPAC name of butyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate (CID 108871020) is butyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate.
What is the SMILES notation for butyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate?
The canonical SMILES for butyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate is CCCCOC(=O)c1ccccc1NC(=O)NC(C)Oc1ccc(O)cc1.
What is the InChIKey of butyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate?
The InChIKey is YEXYCHSJJIZIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-3-4-13-26-19(24)17-7-5-6-8-18(17)22-20(25)21-14(2)27-16-11-9-15(23)10-12-16/h5-12,14,23H,3-4,13H2,1-2H3,(H2,21,22,25).
What are the key properties of butyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate?
butyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate has a molecular weight of 372.42 g/mol, XLogP of 3.90, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate is sourced from PubChem (CID 108871020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).