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

C14H20N2O3 — CID 3539117

IUPACmethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
SMILESCCCCN(C)C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C14H20N2O3/c1-4-5-10-16(2)14(18)15-12-9-7-6-8-11(12)13(17)19-3/h6-9H,4-5,10H2,1-3H3,(H,15,18)
InChIKeyBJXFPMHXRBSVGK-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.74
Rot. Bonds5

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

methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate (PubChem CID 3539117) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
PubChem CID3539117
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
SMILESCCCCN(C)C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C14H20N2O3/c1-4-5-10-16(2)14(18)15-12-9-7-6-8-11(12)13(17)19-3/h6-9H,4-5,10H2,1-3H3,(H,15,18)
InChIKeyBJXFPMHXRBSVGK-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
CID 108990838
methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate
CID 78916667
methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate
CID 23734523
1-butyl-3-(2-hydroxyphenyl)-1-methylurea
CID 108871514
methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate
CID 108512395
ethyl 2-[[2-[butyl(methyl)amino]-2-oxoacetyl]amino]benzoate
CID 108501865
methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate
CID 113158758
1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 108990816
methyl 3-[[butyl(methyl)carbamoyl]amino]-4-chlorobenzoate
CID 108990819
methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109161569
methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108512458
methyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109195986

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate?
The IUPAC name of methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate (CID 3539117) is methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate is CCCCN(C)C(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate?
The InChIKey is BJXFPMHXRBSVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-5-10-16(2)14(18)15-12-9-7-6-8-11(12)13(17)19-3/h6-9H,4-5,10H2,1-3H3,(H,15,18).
What are the key properties of methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate?
methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate has a molecular weight of 264.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate is sourced from PubChem (CID 3539117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).