ethyl 3-(2-methylpropylcarbamoylamino)benzoate

C14H20N2O3 — CID 47221039

IUPACethyl 3-(2-methylpropylcarbamoylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)NCC(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-4-19-13(17)11-6-5-7-12(8-11)16-14(18)15-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,15,16,18)
InChIKeyWVZQYFPVGOWVBG-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.64
Rot. Bonds5

About ethyl 3-(2-methylpropylcarbamoylamino)benzoate

ethyl 3-(2-methylpropylcarbamoylamino)benzoate (PubChem CID 47221039) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 3-(2-methylpropylcarbamoylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(2-methylpropylcarbamoylamino)benzoate
PubChem CID47221039
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 3-(2-methylpropylcarbamoylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)NCC(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-4-19-13(17)11-6-5-7-12(8-11)16-14(18)15-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,15,16,18)
InChIKeyWVZQYFPVGOWVBG-UHFFFAOYSA-N
XLogP2.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 39732859
ethyl 3-(3-methylbutylcarbamoylamino)benzoate
CID 47221049
ethyl 3-(2-bromoethylcarbamoylamino)benzoate
CID 11324499
ethyl 3-(propylcarbamoylamino)benzoate
CID 19169955
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[[(2S)-2-chloropropanoyl]amino]benzoate
CID 92660255
[(2S)-4-[(3-ethoxycarbonylphenyl)carbamoylamino]-1-methoxy-1-oxobutan-2-yl]azanium chloride
CID 10689837
ethyl 3-(3-propoxypropylcarbamoylamino)benzoate
CID 3693237
ethyl 3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoate
CID 23739414
ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate
CID 3759003

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methylpropylcarbamoylamino)benzoate?
The IUPAC name of ethyl 3-(2-methylpropylcarbamoylamino)benzoate (CID 47221039) is ethyl 3-(2-methylpropylcarbamoylamino)benzoate.
What is the SMILES notation for ethyl 3-(2-methylpropylcarbamoylamino)benzoate?
The canonical SMILES for ethyl 3-(2-methylpropylcarbamoylamino)benzoate is CCOC(=O)c1cccc(NC(=O)NCC(C)C)c1.
What is the InChIKey of ethyl 3-(2-methylpropylcarbamoylamino)benzoate?
The InChIKey is WVZQYFPVGOWVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-19-13(17)11-6-5-7-12(8-11)16-14(18)15-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,15,16,18).
What are the key properties of ethyl 3-(2-methylpropylcarbamoylamino)benzoate?
ethyl 3-(2-methylpropylcarbamoylamino)benzoate has a molecular weight of 264.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methylpropylcarbamoylamino)benzoate is sourced from PubChem (CID 47221039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).