methyl 2-[3-(ethylamino)butanoylamino]benzoate

C14H20N2O3 — CID 62838261

IUPACmethyl 2-[3-(ethylamino)butanoylamino]benzoate
SMILESCCNC(C)CC(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C14H20N2O3/c1-4-15-10(2)9-13(17)16-12-8-6-5-7-11(12)14(18)19-3/h5-8,10,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyGFLBSPSBZURTKU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.80
Rot. Bonds6

About methyl 2-[3-(ethylamino)butanoylamino]benzoate

methyl 2-[3-(ethylamino)butanoylamino]benzoate (PubChem CID 62838261) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[3-(ethylamino)butanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-(ethylamino)butanoylamino]benzoate
PubChem CID62838261
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-[3-(ethylamino)butanoylamino]benzoate
SMILESCCNC(C)CC(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C14H20N2O3/c1-4-15-10(2)9-13(17)16-12-8-6-5-7-11(12)14(18)19-3/h5-8,10,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyGFLBSPSBZURTKU-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

methyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate
CID 62838643
methyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate
CID 109013203
methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60640943
methyl 2-[[3-(butan-2-ylamino)-3-oxopropanoyl]amino]benzoate
CID 108941876
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide
CID 62837196
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 62837697
(2R)-2-(benzylamino)-4-(2-methoxycarbonylanilino)-4-oxobutanoic acid
CID 2212217
[2-(2-methoxycarbonylanilino)-2-oxoethyl]-triphenylphosphanium chloride
CID 88693193
methyl 2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]carbamoylamino]benzoate
CID 40597076
methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate
CID 7848385
(2R)-4-(2-methoxycarbonylanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid
CID 7592253
methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate
CID 108512394

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(ethylamino)butanoylamino]benzoate?
The IUPAC name of methyl 2-[3-(ethylamino)butanoylamino]benzoate (CID 62838261) is methyl 2-[3-(ethylamino)butanoylamino]benzoate.
What is the SMILES notation for methyl 2-[3-(ethylamino)butanoylamino]benzoate?
The canonical SMILES for methyl 2-[3-(ethylamino)butanoylamino]benzoate is CCNC(C)CC(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[3-(ethylamino)butanoylamino]benzoate?
The InChIKey is GFLBSPSBZURTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-15-10(2)9-13(17)16-12-8-6-5-7-11(12)14(18)19-3/h5-8,10,15H,4,9H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-[3-(ethylamino)butanoylamino]benzoate?
methyl 2-[3-(ethylamino)butanoylamino]benzoate has a molecular weight of 264.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(ethylamino)butanoylamino]benzoate is sourced from PubChem (CID 62838261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).