ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate

C19H22N2O3 — CID 108900678

IUPACethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCCc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-24-18(22)16-7-9-17(10-8-16)21-19(23)20-12-11-15-6-4-5-14(2)13-15/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyZRSHYCIGQNGLQN-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.54
Rot. Bonds6

About ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate

ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate (PubChem CID 108900678) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate
PubChem CID108900678
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nameethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCCc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-24-18(22)16-7-9-17(10-8-16)21-19(23)20-12-11-15-6-4-5-14(2)13-15/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyZRSHYCIGQNGLQN-UHFFFAOYSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 113098824
1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900768
ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate
CID 113000793
ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate
CID 3740892
2-[4-[2-(3-methylphenyl)ethylcarbamoylamino]phenyl]acetic acid
CID 108900747
ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate
CID 112971975
ethyl 4-[[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108952593
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
1-[2-(3-methylphenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871999
ethyl 4-(2-methoxyethylcarbamoylamino)benzoate
CID 47146237
ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate
CID 47039610

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate?
The IUPAC name of ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate (CID 108900678) is ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)NCCc2cccc(C)c2)cc1.
What is the InChIKey of ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate?
The InChIKey is ZRSHYCIGQNGLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-24-18(22)16-7-9-17(10-8-16)21-19(23)20-12-11-15-6-4-5-14(2)13-15/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23).
What are the key properties of ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate?
ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate has a molecular weight of 326.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate is sourced from PubChem (CID 108900678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).