methyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate

C19H20N2O4 — CID 28642596

IUPACmethyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)N(CCC(N)=O)Cc2ccccc2)c1
InChIInChI=1S/C19H20N2O4/c1-25-19(24)16-9-5-8-15(12-16)18(23)21(11-10-17(20)22)13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H2,20,22)
InChIKeyNFMHGXYASDZJOY-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.99
Rot. Bonds7

About methyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate

methyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate (PubChem CID 28642596) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate
PubChem CID28642596
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)N(CCC(N)=O)Cc2ccccc2)c1
InChIInChI=1S/C19H20N2O4/c1-25-19(24)16-9-5-8-15(12-16)18(23)21(11-10-17(20)22)13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H2,20,22)
InChIKeyNFMHGXYASDZJOY-UHFFFAOYSA-N
XLogP1.99
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide
CID 17397571
N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide
CID 28642575
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 119814507
N,N-dibenzyl-3-(methoxymethyl)benzamide
CID 55436683
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912
3-[benzyl(ethylcarbamothioyl)amino]propanamide
CID 24540900
methyl 3-[benzyl-[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propanoate
CID 55512838
N-(3-amino-3-oxopropyl)-N-benzyl-3-bromo-4-prop-2-enoxybenzamide
CID 28642553
3-[benzyl(methylcarbamothioyl)amino]propanamide
CID 24540897
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate?
The IUPAC name of methyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate (CID 28642596) is methyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate.
What is the SMILES notation for methyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate?
The canonical SMILES for methyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate is COC(=O)c1cccc(C(=O)N(CCC(N)=O)Cc2ccccc2)c1.
What is the InChIKey of methyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate?
The InChIKey is NFMHGXYASDZJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-25-19(24)16-9-5-8-15(12-16)18(23)21(11-10-17(20)22)13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H2,20,22).
What are the key properties of methyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate?
methyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate has a molecular weight of 340.38 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate is sourced from PubChem (CID 28642596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).