butyl 2-[2-(2-ethoxyphenyl)ethylcarbamoylamino]benzoate

C22H28N2O4 — CID 3399689

IUPACbutyl 2-[2-(2-ethoxyphenyl)ethylcarbamoylamino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)NCCc1ccccc1OCC
InChIInChI=1S/C22H28N2O4/c1-3-5-16-28-21(25)18-11-7-8-12-19(18)24-22(26)23-15-14-17-10-6-9-13-20(17)27-4-2/h6-13H,3-5,14-16H2,1-2H3,(H2,23,24,26)
InChIKeyVNWXCXUWBNDERC-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.41
Rot. Bonds10

About butyl 2-[2-(2-ethoxyphenyl)ethylcarbamoylamino]benzoate

butyl 2-[2-(2-ethoxyphenyl)ethylcarbamoylamino]benzoate (PubChem CID 3399689) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is butyl 2-[2-(2-ethoxyphenyl)ethylcarbamoylamino]benzoate.

Molecular Properties

Compound Namebutyl 2-[2-(2-ethoxyphenyl)ethylcarbamoylamino]benzoate
PubChem CID3399689
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Namebutyl 2-[2-(2-ethoxyphenyl)ethylcarbamoylamino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)NCCc1ccccc1OCC
InChIInChI=1S/C22H28N2O4/c1-3-5-16-28-21(25)18-11-7-8-12-19(18)24-22(26)23-15-14-17-10-6-9-13-20(17)27-4-2/h6-13H,3-5,14-16H2,1-2H3,(H2,23,24,26)
InChIKeyVNWXCXUWBNDERC-UHFFFAOYSA-N
XLogP4.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl 2-[2-(2-ethoxyphenyl)ethylcarbamoylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 2-[3-(2-chlorophenoxy)propylcarbamoylamino]benzoate
CID 108883426
butyl 2-(3-propoxypropylcarbamoylamino)benzoate
CID 3677749
butyl 2-[3-(4-methylphenoxy)propylcarbamoylamino]benzoate
CID 108881291
butyl 2-[2-(3,4-dichlorophenyl)ethylcarbamoylamino]benzoate
CID 3404417
butyl 2-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate
CID 3250064
butyl 2-(cyclopentylmethylcarbamoylamino)benzoate
CID 108902547
butyl 2-[(4-propylphenoxy)methylcarbamoylamino]benzoate
CID 108879441
butyl 2-[(2-sulfanylphenyl)carbamoylamino]benzoate
CID 108886349
butyl 2-[(4-bromophenyl)methylcarbamoylamino]benzoate
CID 108899421
1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea
CID 100747319
butyl 3-(2-ethoxyphenyl)propanoate
CID 113221188
methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate
CID 108877191

Frequently Asked Questions

What is the IUPAC name of butyl 2-[2-(2-ethoxyphenyl)ethylcarbamoylamino]benzoate?
The IUPAC name of butyl 2-[2-(2-ethoxyphenyl)ethylcarbamoylamino]benzoate (CID 3399689) is butyl 2-[2-(2-ethoxyphenyl)ethylcarbamoylamino]benzoate.
What is the SMILES notation for butyl 2-[2-(2-ethoxyphenyl)ethylcarbamoylamino]benzoate?
The canonical SMILES for butyl 2-[2-(2-ethoxyphenyl)ethylcarbamoylamino]benzoate is CCCCOC(=O)c1ccccc1NC(=O)NCCc1ccccc1OCC.
What is the InChIKey of butyl 2-[2-(2-ethoxyphenyl)ethylcarbamoylamino]benzoate?
The InChIKey is VNWXCXUWBNDERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-3-5-16-28-21(25)18-11-7-8-12-19(18)24-22(26)23-15-14-17-10-6-9-13-20(17)27-4-2/h6-13H,3-5,14-16H2,1-2H3,(H2,23,24,26).
What are the key properties of butyl 2-[2-(2-ethoxyphenyl)ethylcarbamoylamino]benzoate?
butyl 2-[2-(2-ethoxyphenyl)ethylcarbamoylamino]benzoate has a molecular weight of 384.48 g/mol, XLogP of 4.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[2-(2-ethoxyphenyl)ethylcarbamoylamino]benzoate is sourced from PubChem (CID 3399689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).