phenyl 2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetate

C20H17N3O3 — CID 69120668

IUPACphenyl 2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetate
SMILESO=C(NCC(=O)Oc1ccccc1)Nc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C20H17N3O3/c24-19(26-18-4-2-1-3-5-18)14-22-20(25)23-17-8-6-15(7-9-17)16-10-12-21-13-11-16/h1-13H,14H2,(H2,22,23,25)
InChIKeyFPOUHSYYOVZZDI-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.48
Rot. Bonds5

About phenyl 2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetate

phenyl 2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetate (PubChem CID 69120668) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is phenyl 2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetate.

Molecular Properties

Compound Namephenyl 2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetate
PubChem CID69120668
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Namephenyl 2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetate
SMILESO=C(NCC(=O)Oc1ccccc1)Nc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C20H17N3O3/c24-19(26-18-4-2-1-3-5-18)14-22-20(25)23-17-8-6-15(7-9-17)16-10-12-21-13-11-16/h1-13H,14H2,(H2,22,23,25)
InChIKeyFPOUHSYYOVZZDI-UHFFFAOYSA-N
XLogP3.48
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea
CID 166219931
2-anilino-N-(4-pyridin-4-ylphenyl)acetamide
CID 15981382
1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea
CID 56593240
2-[(4-phenoxyphenyl)carbamoylamino]acetamide
CID 54573281
[2-phenyl-2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetyl] 2,2,2-trifluoroacetate
CID 174568511
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
CID 70681396
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
1-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea
CID 167295399
pentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate
CID 3431622
(2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate
CID 110671034
ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
CID 108865742
4-[1-amino-2-[(4-phenylphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 15982238

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetate?
The IUPAC name of phenyl 2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetate (CID 69120668) is phenyl 2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetate.
What is the SMILES notation for phenyl 2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetate?
The canonical SMILES for phenyl 2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetate is O=C(NCC(=O)Oc1ccccc1)Nc1ccc(-c2ccncc2)cc1.
What is the InChIKey of phenyl 2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetate?
The InChIKey is FPOUHSYYOVZZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-19(26-18-4-2-1-3-5-18)14-22-20(25)23-17-8-6-15(7-9-17)16-10-12-21-13-11-16/h1-13H,14H2,(H2,22,23,25).
What are the key properties of phenyl 2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetate?
phenyl 2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetate has a molecular weight of 347.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetate is sourced from PubChem (CID 69120668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).