methyl 2-[benzyl(phenacyl)amino]acetate

C18H19NO3 — CID 71473057

IUPACmethyl 2-[benzyl(phenacyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H19NO3/c1-22-18(21)14-19(12-15-8-4-2-5-9-15)13-17(20)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKeyTZQRJKKKWWCSEE-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.54
Rot. Bonds7

About methyl 2-[benzyl(phenacyl)amino]acetate

methyl 2-[benzyl(phenacyl)amino]acetate (PubChem CID 71473057) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 2-[benzyl(phenacyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzyl(phenacyl)amino]acetate
PubChem CID71473057
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namemethyl 2-[benzyl(phenacyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H19NO3/c1-22-18(21)14-19(12-15-8-4-2-5-9-15)13-17(20)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKeyTZQRJKKKWWCSEE-UHFFFAOYSA-N
XLogP2.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Alpha-D2PV
CID 33957
N-benzoyl-phenylalanine methyl ester
CID 569674
1-benzoyl-2-benzyl-1,2-dihydropyridin-3(6H)-one
CID 16037828
Methyl N,N-dibenzyl-L-phenylalaninate
CID 15297227
1-Propanone, 3-[methyl(phenylmethyl)amino]-1-phenyl-, hydrochloride (1:1)
CID 3034159
Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1)
CID 174155
2-(Morpholin-4-yl)-1,3-diphenylpropan-1-one
CID 234548
4-(2-Oxo-2-phenylethyl)-4-(3-phenylprop-2-ynyl)morpholin-4-ium
CID 16193192
tert-butyl N-[2-[benzyl(phenacyl)amino]-2-oxoethoxy]carbamate
CID 24980406
Methyl 2-[[2-[[2-[(2-methoxy-2-oxo-ethyl)carbamoyl]phenyl]diselanyl]benzoyl]amino]acetate
CID 101536682
2-(4-Benzylpiperazino)-1-phenyl-1-ethanone
CID 2765003
3-[Benzyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 46232282

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl(phenacyl)amino]acetate?
The IUPAC name of methyl 2-[benzyl(phenacyl)amino]acetate (CID 71473057) is methyl 2-[benzyl(phenacyl)amino]acetate.
What is the SMILES notation for methyl 2-[benzyl(phenacyl)amino]acetate?
The canonical SMILES for methyl 2-[benzyl(phenacyl)amino]acetate is COC(=O)CN(CC(=O)c1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl 2-[benzyl(phenacyl)amino]acetate?
The InChIKey is TZQRJKKKWWCSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-22-18(21)14-19(12-15-8-4-2-5-9-15)13-17(20)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3.
What are the key properties of methyl 2-[benzyl(phenacyl)amino]acetate?
methyl 2-[benzyl(phenacyl)amino]acetate has a molecular weight of 297.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl(phenacyl)amino]acetate is sourced from PubChem (CID 71473057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).