[2-(methylamino)-2-oxoethyl] 2-(butylamino)benzoate

C14H20N2O3 — CID 7150142

IUPAC[2-(methylamino)-2-oxoethyl] 2-(butylamino)benzoate
SMILESCCCCNc1ccccc1C(=O)OCC(=O)NC
InChIInChI=1S/C14H20N2O3/c1-3-4-9-16-12-8-6-5-7-11(12)14(18)19-10-13(17)15-2/h5-8,16H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyDSTSRMBMJANQRX-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.80
Rot. Bonds7

About [2-(methylamino)-2-oxoethyl] 2-(butylamino)benzoate

[2-(methylamino)-2-oxoethyl] 2-(butylamino)benzoate (PubChem CID 7150142) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-(butylamino)benzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-(butylamino)benzoate
PubChem CID7150142
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-(butylamino)benzoate
SMILESCCCCNc1ccccc1C(=O)OCC(=O)NC
InChIInChI=1S/C14H20N2O3/c1-3-4-9-16-12-8-6-5-7-11(12)14(18)19-10-13(17)15-2/h5-8,16H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyDSTSRMBMJANQRX-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(butylamino)benzoate
CID 2613842
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(butylamino)benzoate
CID 2613872
[2-(cyclohexylamino)-2-oxoethyl] 2-(butylamino)benzoate
CID 2613877
[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-(butylamino)benzoate
CID 43032765
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(butylamino)benzoate
CID 2613832
[2-(3-cyanoanilino)-2-oxoethyl] 2-(butylamino)benzoate
CID 7152462
[2-(butylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7740464
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(butylamino)benzoate
CID 7256866
ethyl 2-(propylamino)benzoate
CID 15662762
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(butylamino)benzoate
CID 7224284
[2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7149879
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(butylamino)benzoate
CID 7150134

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(butylamino)benzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(butylamino)benzoate (CID 7150142) is [2-(methylamino)-2-oxoethyl] 2-(butylamino)benzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-(butylamino)benzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-(butylamino)benzoate is CCCCNc1ccccc1C(=O)OCC(=O)NC.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-(butylamino)benzoate?
The InChIKey is DSTSRMBMJANQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-4-9-16-12-8-6-5-7-11(12)14(18)19-10-13(17)15-2/h5-8,16H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-(butylamino)benzoate?
[2-(methylamino)-2-oxoethyl] 2-(butylamino)benzoate has a molecular weight of 264.32 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2-(butylamino)benzoate is sourced from PubChem (CID 7150142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).