benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate

C18H19NO5 — CID 24643690

IUPACbenzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCc2ccccc2)c1
InChIInChI=1S/C18H19NO5/c1-22-15-8-14(9-16(10-15)23-2)18(21)19-11-17(20)24-12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyCIGSSLNNNRQLTM-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.18
Rot. Bonds7

About benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate

benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate (PubChem CID 24643690) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
PubChem CID24643690
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namebenzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCc2ccccc2)c1
InChIInChI=1S/C18H19NO5/c1-22-15-8-14(9-16(10-15)23-2)18(21)19-11-17(20)24-12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyCIGSSLNNNRQLTM-UHFFFAOYSA-N
XLogP2.18
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-benzamidoacetate;ethane
CID 142836612
benzyl 2-[(3-phenoxybenzoyl)amino]acetate
CID 7980431
(4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7899297
benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate
CID 27020385
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884502
benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate
CID 27711366
benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate
CID 38424752
benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate
CID 27898594
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
(4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 16578596
benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate
CID 30581064
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The IUPAC name of benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate (CID 24643690) is benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate is COc1cc(OC)cc(C(=O)NCC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The InChIKey is CIGSSLNNNRQLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-22-15-8-14(9-16(10-15)23-2)18(21)19-11-17(20)24-12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate has a molecular weight of 329.35 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 24643690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).