benzyl 2-benzamidoacetate;ethane

C18H21NO3 — CID 142836612

IUPACbenzyl 2-benzamidoacetate;ethane
SMILESCC.O=C(CNC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H15NO3.C2H6/c18-15(20-12-13-7-3-1-4-8-13)11-17-16(19)14-9-5-2-6-10-14;1-2/h1-10H,11-12H2,(H,17,19);1-2H3
InChIKeyVPCMGZADRPSSAJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.19
Rot. Bonds5

About benzyl 2-benzamidoacetate;ethane

benzyl 2-benzamidoacetate;ethane (PubChem CID 142836612) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is benzyl 2-benzamidoacetate;ethane.

Molecular Properties

Compound Namebenzyl 2-benzamidoacetate;ethane
PubChem CID142836612
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namebenzyl 2-benzamidoacetate;ethane
SMILESCC.O=C(CNC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H15NO3.C2H6/c18-15(20-12-13-7-3-1-4-8-13)11-17-16(19)14-9-5-2-6-10-14;1-2/h1-10H,11-12H2,(H,17,19);1-2H3
InChIKeyVPCMGZADRPSSAJ-UHFFFAOYSA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylsulfanylphenyl)methyl 2-benzamidoacetate
CID 7783424
benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 24643690
benzyl 2-[(3-phenoxybenzoyl)amino]acetate
CID 7980431
benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate
CID 27898594
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate
CID 30581064
benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate
CID 27711366
benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate
CID 30581707
(4-benzylsulfonylphenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
CID 2960892
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate
CID 27020385
(3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
CID 2221739

Frequently Asked Questions

What is the IUPAC name of benzyl 2-benzamidoacetate;ethane?
The IUPAC name of benzyl 2-benzamidoacetate;ethane (CID 142836612) is benzyl 2-benzamidoacetate;ethane.
What is the SMILES notation for benzyl 2-benzamidoacetate;ethane?
The canonical SMILES for benzyl 2-benzamidoacetate;ethane is CC.O=C(CNC(=O)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-benzamidoacetate;ethane?
The InChIKey is VPCMGZADRPSSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3.C2H6/c18-15(20-12-13-7-3-1-4-8-13)11-17-16(19)14-9-5-2-6-10-14;1-2/h1-10H,11-12H2,(H,17,19);1-2H3.
What are the key properties of benzyl 2-benzamidoacetate;ethane?
benzyl 2-benzamidoacetate;ethane has a molecular weight of 299.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-benzamidoacetate;ethane is sourced from PubChem (CID 142836612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).