tert-butyl 2-[(4-methoxybenzoyl)amino]acetate

C14H19NO4 — CID 135045716

IUPACtert-butyl 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-12(16)9-15-13(17)10-5-7-11(18-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,17)
InChIKeyBMKWQSNQONRIQO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.77
Rot. Bonds4

About tert-butyl 2-[(4-methoxybenzoyl)amino]acetate

tert-butyl 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 135045716) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is tert-butyl 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID135045716
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nametert-butyl 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-12(16)9-15-13(17)10-5-7-11(18-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,17)
InChIKeyBMKWQSNQONRIQO-UHFFFAOYSA-N
XLogP1.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
2-[(4-methoxybenzoyl)amino]acetate
CID 6920131
tert-butyl N-(4-methoxybenzoyl)carbamate
CID 14221825
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854515
(4-methoxyphenyl) 2-benzamidoacetate
CID 23275662
N-(3-chloro-2,2-dimethylpropyl)-4-methoxybenzamide
CID 115364498
4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6297900
2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8787743
(4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 16578596
2-(4-methoxyphenyl)ethyl 2-[(4-methylbenzoyl)amino]acetate
CID 42008768
tert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate
CID 16687001
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(4-methoxybenzoyl)amino]acetate (CID 135045716) is tert-butyl 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(4-methoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is BMKWQSNQONRIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)19-12(16)9-15-13(17)10-5-7-11(18-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl 2-[(4-methoxybenzoyl)amino]acetate?
tert-butyl 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 265.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 135045716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).