ethyl 3-(1-phenylpropylcarbamoylamino)benzoate

C19H22N2O3 — CID 3804159

IUPACethyl 3-(1-phenylpropylcarbamoylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)NC(CC)c2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-3-17(14-9-6-5-7-10-14)21-19(23)20-16-12-8-11-15(13-16)18(22)24-4-2/h5-13,17H,3-4H2,1-2H3,(H2,20,21,23)
InChIKeyDYOOWWDARFXHBE-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.14
Rot. Bonds6

About ethyl 3-(1-phenylpropylcarbamoylamino)benzoate

ethyl 3-(1-phenylpropylcarbamoylamino)benzoate (PubChem CID 3804159) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethyl 3-(1-phenylpropylcarbamoylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(1-phenylpropylcarbamoylamino)benzoate
PubChem CID3804159
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nameethyl 3-(1-phenylpropylcarbamoylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)NC(CC)c2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-3-17(14-9-6-5-7-10-14)21-19(23)20-16-12-8-11-15(13-16)18(22)24-4-2/h5-13,17H,3-4H2,1-2H3,(H2,20,21,23)
InChIKeyDYOOWWDARFXHBE-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate
CID 48637923
ethyl 3-[(3-acetamido-3-phenylpropanoyl)amino]benzoate
CID 55394890
1-(3-aminophenyl)-3-(1-phenylpropyl)urea
CID 62304555
ethyl 3-(benzhydrylamino)benzoate
CID 172748353
ethyl 3-(2-phenylpropanoylamino)benzoate
CID 54084497
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
ethyl 3-[[(1S)-1-(4-methylsulfonylphenyl)propyl]carbamothioylamino]benzoate
CID 100735642
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 47221039
ethyl 3-[[(S)-(4-methylphenyl)-phenylmethyl]carbamothioylamino]benzoate
CID 100660960
ethyl 3-[[3-[[phenyl(1H-1,2,4-triazol-5-yl)methyl]carbamoylamino]benzoyl]amino]benzoate
CID 166355415
ethyl 3-(propylcarbamoylamino)benzoate
CID 19169955

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-phenylpropylcarbamoylamino)benzoate?
The IUPAC name of ethyl 3-(1-phenylpropylcarbamoylamino)benzoate (CID 3804159) is ethyl 3-(1-phenylpropylcarbamoylamino)benzoate.
What is the SMILES notation for ethyl 3-(1-phenylpropylcarbamoylamino)benzoate?
The canonical SMILES for ethyl 3-(1-phenylpropylcarbamoylamino)benzoate is CCOC(=O)c1cccc(NC(=O)NC(CC)c2ccccc2)c1.
What is the InChIKey of ethyl 3-(1-phenylpropylcarbamoylamino)benzoate?
The InChIKey is DYOOWWDARFXHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-17(14-9-6-5-7-10-14)21-19(23)20-16-12-8-11-15(13-16)18(22)24-4-2/h5-13,17H,3-4H2,1-2H3,(H2,20,21,23).
What are the key properties of ethyl 3-(1-phenylpropylcarbamoylamino)benzoate?
ethyl 3-(1-phenylpropylcarbamoylamino)benzoate has a molecular weight of 326.40 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-phenylpropylcarbamoylamino)benzoate is sourced from PubChem (CID 3804159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).