methyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate

C15H20N2O4 — CID 60977381

IUPACmethyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-17(11-9-14(19)21-2)13(18)8-10-16-15(20)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,16,20)
InChIKeyBRGSJIFGKWEQAO-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.83
Rot. Bonds7

About methyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate

methyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate (PubChem CID 60977381) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate
PubChem CID60977381
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namemethyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-17(11-9-14(19)21-2)13(18)8-10-16-15(20)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,16,20)
InChIKeyBRGSJIFGKWEQAO-UHFFFAOYSA-N
XLogP0.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 54175456
methyl 4-benzamidobutanoate
CID 13197711
N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide
CID 55896935
N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 30877774
methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate
CID 61031185
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9417092
4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide
CID 9429637
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 26635200
N-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide
CID 61038662
3-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 60988422

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate?
The IUPAC name of methyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate (CID 60977381) is methyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate?
The canonical SMILES for methyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate is COC(=O)CCN(C)C(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of methyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate?
The InChIKey is BRGSJIFGKWEQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-17(11-9-14(19)21-2)13(18)8-10-16-15(20)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,16,20).
What are the key properties of methyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate?
methyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate has a molecular weight of 292.33 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate is sourced from PubChem (CID 60977381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).