ethyl 3-(propylcarbamoylamino)benzoate

C13H18N2O3 — CID 19169955

IUPACethyl 3-(propylcarbamoylamino)benzoate
SMILESCCCNC(=O)Nc1cccc(C(=O)OCC)c1
InChIInChI=1S/C13H18N2O3/c1-3-8-14-13(17)15-11-7-5-6-10(9-11)12(16)18-4-2/h5-7,9H,3-4,8H2,1-2H3,(H2,14,15,17)
InChIKeyPTXILVZVTBQRPF-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.39
Rot. Bonds5

About ethyl 3-(propylcarbamoylamino)benzoate

ethyl 3-(propylcarbamoylamino)benzoate (PubChem CID 19169955) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 3-(propylcarbamoylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(propylcarbamoylamino)benzoate
PubChem CID19169955
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 3-(propylcarbamoylamino)benzoate
SMILESCCCNC(=O)Nc1cccc(C(=O)OCC)c1
InChIInChI=1S/C13H18N2O3/c1-3-8-14-13(17)15-11-7-5-6-10(9-11)12(16)18-4-2/h5-7,9H,3-4,8H2,1-2H3,(H2,14,15,17)
InChIKeyPTXILVZVTBQRPF-UHFFFAOYSA-N
XLogP2.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(2-bromoethylcarbamoylamino)benzoate
CID 11324499
ethyl 3-(3-methylbutylcarbamoylamino)benzoate
CID 47221049
ethyl 3-(3-propoxypropylcarbamoylamino)benzoate
CID 3693237
ethyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 47221039
ethyl 3-acetamidobenzoate
CID 700589
[(2S)-4-[(3-ethoxycarbonylphenyl)carbamoylamino]-1-methoxy-1-oxobutan-2-yl]azanium chloride
CID 10689837
N,N-diethyl-3-(propylcarbamoylamino)benzamide
CID 47103496
ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate
CID 3759003
ethyl 3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoate
CID 23739414
3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide
CID 61066520
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(propylcarbamoylamino)benzoate?
The IUPAC name of ethyl 3-(propylcarbamoylamino)benzoate (CID 19169955) is ethyl 3-(propylcarbamoylamino)benzoate.
What is the SMILES notation for ethyl 3-(propylcarbamoylamino)benzoate?
The canonical SMILES for ethyl 3-(propylcarbamoylamino)benzoate is CCCNC(=O)Nc1cccc(C(=O)OCC)c1.
What is the InChIKey of ethyl 3-(propylcarbamoylamino)benzoate?
The InChIKey is PTXILVZVTBQRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-8-14-13(17)15-11-7-5-6-10(9-11)12(16)18-4-2/h5-7,9H,3-4,8H2,1-2H3,(H2,14,15,17).
What are the key properties of ethyl 3-(propylcarbamoylamino)benzoate?
ethyl 3-(propylcarbamoylamino)benzoate has a molecular weight of 250.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(propylcarbamoylamino)benzoate is sourced from PubChem (CID 19169955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).