ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate

C18H19N3O4 — CID 12735876

IUPACethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H19N3O4/c1-2-25-16(22)12-19-18(24)21-15-11-7-6-10-14(15)17(23)20-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,20,23)(H2,19,21,24)
InChIKeyNALZRZNZPODYOB-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.62
Rot. Bonds6

About ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate

ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate (PubChem CID 12735876) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate
PubChem CID12735876
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Nameethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H19N3O4/c1-2-25-16(22)12-19-18(24)21-15-11-7-6-10-14(15)17(23)20-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,20,23)(H2,19,21,24)
InChIKeyNALZRZNZPODYOB-UHFFFAOYSA-N
XLogP2.62
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
ethyl 2-[[2-(2-methoxyethyl)phenyl]carbamoylamino]acetate
CID 102907562
ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate
CID 55177471
2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 61181463
methyl 3-ethyl-3-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]amino]pentanoate
CID 71857054
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
2-(butanoylamino)-N-phenylbenzamide
CID 676008
ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate
CID 59648075
ethyl 2-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]sulfanylacetate
CID 8594868
2-hydrazinyl-N-phenylbenzamide
CID 12569370
2-[(2-acetylphenyl)carbamoylamino]acetic acid
CID 39733019
ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate
CID 43445676

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate?
The IUPAC name of ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate (CID 12735876) is ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate?
The InChIKey is NALZRZNZPODYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-2-25-16(22)12-19-18(24)21-15-11-7-6-10-14(15)17(23)20-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,20,23)(H2,19,21,24).
What are the key properties of ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate?
ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate has a molecular weight of 341.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate is sourced from PubChem (CID 12735876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).