ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate

C15H22N2O3 — CID 108990838

IUPACethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
SMILESCCCCN(C)C(=O)Nc1ccccc1C(=O)OCC
InChIInChI=1S/C15H22N2O3/c1-4-6-11-17(3)15(19)16-13-10-8-7-9-12(13)14(18)20-5-2/h7-10H,4-6,11H2,1-3H3,(H,16,19)
InChIKeyAGRNWQUYUJRKSV-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.13
Rot. Bonds6

About ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate

ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate (PubChem CID 108990838) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
PubChem CID108990838
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
SMILESCCCCN(C)C(=O)Nc1ccccc1C(=O)OCC
InChIInChI=1S/C15H22N2O3/c1-4-6-11-17(3)15(19)16-13-10-8-7-9-12(13)14(18)20-5-2/h7-10H,4-6,11H2,1-3H3,(H,16,19)
InChIKeyAGRNWQUYUJRKSV-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
CID 3539117
ethyl 2-[[2-[butyl(methyl)amino]-2-oxoacetyl]amino]benzoate
CID 108501865
ethyl 2-[[2-[butyl(methyl)amino]-2-oxoethyl]amino]benzoate
CID 109006261
ethyl 2-[[4-[butyl(methyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109149984
1-butyl-3-(2-hydroxyphenyl)-1-methylurea
CID 108871514
methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate
CID 78916667
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109333628
1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 108990816
ethyl 2-[[4-[butyl(methyl)carbamoyl]-6-methylpyrimidin-2-yl]amino]benzoate
CID 109333738
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate
CID 23734523

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate (CID 108990838) is ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate is CCCCN(C)C(=O)Nc1ccccc1C(=O)OCC.
What is the InChIKey of ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate?
The InChIKey is AGRNWQUYUJRKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-6-11-17(3)15(19)16-13-10-8-7-9-12(13)14(18)20-5-2/h7-10H,4-6,11H2,1-3H3,(H,16,19).
What are the key properties of ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate?
ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate has a molecular weight of 278.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate is sourced from PubChem (CID 108990838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).