ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate

C19H21N3O3 — CID 112989391

IUPACethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccc(NC(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C19H21N3O3/c1-2-25-18(23)13-3-5-14(6-4-13)20-15-7-9-16(10-8-15)21-19(24)22-17-11-12-17/h3-10,17,20H,2,11-12H2,1H3,(H2,21,22,24)
InChIKeyXJVUEZWHYPHMNJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.89
Rot. Bonds6

About ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate

ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate (PubChem CID 112989391) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate
PubChem CID112989391
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Nameethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccc(NC(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C19H21N3O3/c1-2-25-18(23)13-3-5-14(6-4-13)20-15-7-9-16(10-8-15)21-19(24)22-17-11-12-17/h3-10,17,20H,2,11-12H2,1H3,(H2,21,22,24)
InChIKeyXJVUEZWHYPHMNJ-UHFFFAOYSA-N
XLogP3.89
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076103
ethyl 4-[(1-propylsulfonylpiperidin-4-yl)carbamoylamino]benzoate
CID 47039944
ethyl 4-(cyclododecylcarbamothioylamino)benzoate
CID 19652499
ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 60647219
ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112989355
butyl 4-(cyclohexylcarbamoylamino)benzoate
CID 5108905
methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate
CID 17217884
ethyl 4-(1-oxaspiro[4.4]nonan-3-ylcarbamoylamino)benzoate
CID 72940176
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
ethyl 3-bromo-4-(cyclopropylcarbamoylamino)benzoate
CID 62700620
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate?
The IUPAC name of ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate (CID 112989391) is ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate.
What is the SMILES notation for ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate?
The canonical SMILES for ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate is CCOC(=O)c1ccc(Nc2ccc(NC(=O)NC3CC3)cc2)cc1.
What is the InChIKey of ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate?
The InChIKey is XJVUEZWHYPHMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-25-18(23)13-3-5-14(6-4-13)20-15-7-9-16(10-8-15)21-19(24)22-17-11-12-17/h3-10,17,20H,2,11-12H2,1H3,(H2,21,22,24).
What are the key properties of ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate?
ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate has a molecular weight of 339.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate is sourced from PubChem (CID 112989391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).