[2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate

C17H16N2O5 — CID 7625803

IUPAC[2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate
SMILESNC(=O)NC(=O)COC(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H16N2O5/c18-17(22)19-15(20)11-24-16(21)13-7-4-8-14(9-13)23-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H3,18,19,20,22)
InChIKeyPDZGONAXWQYCSC-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.62
Rot. Bonds6

About [2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate

[2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate (PubChem CID 7625803) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate
PubChem CID7625803
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate
SMILESNC(=O)NC(=O)COC(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H16N2O5/c18-17(22)19-15(20)11-24-16(21)13-7-4-8-14(9-13)23-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H3,18,19,20,22)
InChIKeyPDZGONAXWQYCSC-UHFFFAOYSA-N
XLogP1.62
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7240119
N-carbamoyl-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950498
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7240128
3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 16784050
(2-benzamido-2-oxoethyl) 4-phenylmethoxybenzoate
CID 7264153
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate
CID 7703196
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate
CID 40910833
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7240038
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-phenylmethoxybenzoate
CID 7240043
2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7625798
[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate (CID 7625803) is [2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate is NC(=O)NC(=O)COC(=O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate?
The InChIKey is PDZGONAXWQYCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c18-17(22)19-15(20)11-24-16(21)13-7-4-8-14(9-13)23-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H3,18,19,20,22).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate?
[2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate has a molecular weight of 328.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate is sourced from PubChem (CID 7625803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).