[2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate

C17H17N3O5 — CID 2609306

IUPAC[2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
SMILESNC(=O)NC(=O)COC(=O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C17H17N3O5/c18-17(23)20-15(21)10-25-16(22)11-24-14-8-6-13(7-9-14)19-12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H3,18,20,21,23)
InChIKeyPCIQPFAXKRTGBN-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.55
Rot. Bonds7

About [2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate

[2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate (PubChem CID 2609306) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
PubChem CID2609306
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
SMILESNC(=O)NC(=O)COC(=O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C17H17N3O5/c18-17(23)20-15(21)10-25-16(22)11-24-14-8-6-13(7-9-14)19-12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H3,18,20,21,23)
InChIKeyPCIQPFAXKRTGBN-UHFFFAOYSA-N
XLogP1.55
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 7149570
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 7149623
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate
CID 2609297
(2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate
CID 2556596
N-carbamoyl-2-(4-phenylphenoxy)acetamide
CID 7868557
N-carbamoyl-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950498
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 7149554
[2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853444
[2-(methylamino)-2-oxoethyl] 2-phenoxyacetate
CID 7980270
[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2485751
N-(4-anilinophenyl)-2-(4-phenylphenoxy)acetamide
CID 4511463
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 2506763

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate (CID 2609306) is [2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate is NC(=O)NC(=O)COC(=O)COc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate?
The InChIKey is PCIQPFAXKRTGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c18-17(23)20-15(21)10-25-16(22)11-24-14-8-6-13(7-9-14)19-12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H3,18,20,21,23).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate?
[2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate has a molecular weight of 343.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate is sourced from PubChem (CID 2609306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).