methyl 2-ethyl-6-(propan-2-ylcarbamoylamino)benzoate

C14H20N2O3 — CID 131843776

IUPACmethyl 2-ethyl-6-(propan-2-ylcarbamoylamino)benzoate
SMILESCCc1cccc(NC(=O)NC(C)C)c1C(=O)OC
InChIInChI=1S/C14H20N2O3/c1-5-10-7-6-8-11(12(10)13(17)19-4)16-14(18)15-9(2)3/h6-9H,5H2,1-4H3,(H2,15,16,18)
InChIKeyPRRGYZDNDOHWGN-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.57
Rot. Bonds4

About methyl 2-ethyl-6-(propan-2-ylcarbamoylamino)benzoate

methyl 2-ethyl-6-(propan-2-ylcarbamoylamino)benzoate (PubChem CID 131843776) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-ethyl-6-(propan-2-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-ethyl-6-(propan-2-ylcarbamoylamino)benzoate
PubChem CID131843776
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-ethyl-6-(propan-2-ylcarbamoylamino)benzoate
SMILESCCc1cccc(NC(=O)NC(C)C)c1C(=O)OC
InChIInChI=1S/C14H20N2O3/c1-5-10-7-6-8-11(12(10)13(17)19-4)16-14(18)15-9(2)3/h6-9H,5H2,1-4H3,(H2,15,16,18)
InChIKeyPRRGYZDNDOHWGN-UHFFFAOYSA-N
XLogP2.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(carbamoylamino)acetyl]amino]-6-ethylbenzoate
CID 70351448
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
methyl 2-fluoro-6-(2-methylbutanoylamino)benzoate
CID 144566925
N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 47377414
1-(2-methylsulfanylphenyl)-3-propan-2-ylurea
CID 23548353
methyl 2-ethyl-6-(trifluoromethyl)benzoate
CID 162602543
methyl 4-methyl-3-(propan-2-ylcarbamoylamino)benzoate
CID 47173546
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate
CID 22210280
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043170
methyl 4-amino-2-(propan-2-ylcarbamoylamino)benzoate
CID 22152166

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-6-(propan-2-ylcarbamoylamino)benzoate?
The IUPAC name of methyl 2-ethyl-6-(propan-2-ylcarbamoylamino)benzoate (CID 131843776) is methyl 2-ethyl-6-(propan-2-ylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 2-ethyl-6-(propan-2-ylcarbamoylamino)benzoate?
The canonical SMILES for methyl 2-ethyl-6-(propan-2-ylcarbamoylamino)benzoate is CCc1cccc(NC(=O)NC(C)C)c1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-6-(propan-2-ylcarbamoylamino)benzoate?
The InChIKey is PRRGYZDNDOHWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-10-7-6-8-11(12(10)13(17)19-4)16-14(18)15-9(2)3/h6-9H,5H2,1-4H3,(H2,15,16,18).
What are the key properties of methyl 2-ethyl-6-(propan-2-ylcarbamoylamino)benzoate?
methyl 2-ethyl-6-(propan-2-ylcarbamoylamino)benzoate has a molecular weight of 264.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-6-(propan-2-ylcarbamoylamino)benzoate is sourced from PubChem (CID 131843776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).