1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea

C18H17N5O4 — CID 18292956

IUPAC1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C18H17N5O4/c19-10-13-6-4-5-9-15(13)27-12-17(25)23-22-16(24)11-20-18(26)21-14-7-2-1-3-8-14/h1-9H,11-12H2,(H,22,24)(H,23,25)(H2,20,21,26)
InChIKeyFMTQXGJADVDLLH-UHFFFAOYSA-N
MW367.37 g/mol
LogP0.91
Rot. Bonds6

About 1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea

1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea (PubChem CID 18292956) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea
PubChem CID18292956
Molecular FormulaC18H17N5O4
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Name1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C18H17N5O4/c19-10-13-6-4-5-9-15(13)27-12-17(25)23-22-16(24)11-20-18(26)21-14-7-2-1-3-8-14/h1-9H,11-12H2,(H,22,24)(H,23,25)(H2,20,21,26)
InChIKeyFMTQXGJADVDLLH-UHFFFAOYSA-N
XLogP0.91
TPSA132.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18231496
4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 4850375
N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
CID 35946068
N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 18164708
2-(2-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115360382
N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide
CID 2555736
(3R)-3-[[[2-(2-cyanophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
CID 9087992
3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 78779251
2-(2-cyanophenoxy)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 75407306
2-(2-cyanophenoxy)-N-(3-iodophenyl)acetamide
CID 2565297
2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 8699125
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea?
The IUPAC name of 1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea (CID 18292956) is 1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea is N#Cc1ccccc1OCC(=O)NNC(=O)CNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea?
The InChIKey is FMTQXGJADVDLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4/c19-10-13-6-4-5-9-15(13)27-12-17(25)23-22-16(24)11-20-18(26)21-14-7-2-1-3-8-14/h1-9H,11-12H2,(H,22,24)(H,23,25)(H2,20,21,26).
What are the key properties of 1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea?
1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea has a molecular weight of 367.37 g/mol, XLogP of 0.91, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea is sourced from PubChem (CID 18292956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).