methyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate

C15H22N2O3 — CID 109013203

IUPACmethyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate
SMILESCCC(C)NCCC(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C15H22N2O3/c1-4-11(2)16-10-9-14(18)17-13-8-6-5-7-12(13)15(19)20-3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyJQVITWDZLPJZAG-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.19
Rot. Bonds7

About methyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate

methyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate (PubChem CID 109013203) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate
PubChem CID109013203
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate
SMILESCCC(C)NCCC(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C15H22N2O3/c1-4-11(2)16-10-9-14(18)17-13-8-6-5-7-12(13)15(19)20-3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyJQVITWDZLPJZAG-UHFFFAOYSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(butan-2-ylamino)-3-oxopropanoyl]amino]benzoate
CID 108941876
3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109013163
methyl 2-[3-(ethylamino)butanoylamino]benzoate
CID 62838261
methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate
CID 109041371
methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60640943
methyl 2-[3-(2-chloroanilino)propanoylamino]benzoate
CID 109037899
methyl 2-[3-(2-bromoanilino)propanoylamino]benzoate
CID 109041303
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 32989548
N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide
CID 60843100
methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate
CID 19225981
methyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110424083

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate?
The IUPAC name of methyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate (CID 109013203) is methyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate.
What is the SMILES notation for methyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate?
The canonical SMILES for methyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate is CCC(C)NCCC(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate?
The InChIKey is JQVITWDZLPJZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-11(2)16-10-9-14(18)17-13-8-6-5-7-12(13)15(19)20-3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate?
methyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate has a molecular weight of 278.35 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate is sourced from PubChem (CID 109013203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).