[4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea

C23H22N4O4 — CID 55333341

IUPAC[4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea
SMILESNC(=O)NCc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C23H22N4O4/c24-23(30)25-14-16-10-12-18(13-11-16)22(29)27-26-21(28)15-31-20-9-5-4-8-19(20)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,26,28)(H,27,29)(H3,24,25,30)
InChIKeyGBVSPPXWSFJNBF-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.36
Rot. Bonds7

About [4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea

[4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea (PubChem CID 55333341) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is [4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea.

Molecular Properties

Compound Name[4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea
PubChem CID55333341
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name[4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea
SMILESNC(=O)NCc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C23H22N4O4/c24-23(30)25-14-16-10-12-18(13-11-16)22(29)27-26-21(28)15-31-20-9-5-4-8-19(20)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,26,28)(H,27,29)(H3,24,25,30)
InChIKeyGBVSPPXWSFJNBF-UHFFFAOYSA-N
XLogP2.36
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide
CID 26840576
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 27568544
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 9321776
4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide
CID 27568393
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]furan-3-carboxamide
CID 55648126
3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 17134455
4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 47839265

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea?
The IUPAC name of [4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea (CID 55333341) is [4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea.
What is the SMILES notation for [4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea?
The canonical SMILES for [4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea is NC(=O)NCc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of [4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea?
The InChIKey is GBVSPPXWSFJNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c24-23(30)25-14-16-10-12-18(13-11-16)22(29)27-26-21(28)15-31-20-9-5-4-8-19(20)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,26,28)(H,27,29)(H3,24,25,30).
What are the key properties of [4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea?
[4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea has a molecular weight of 418.45 g/mol, XLogP of 2.36, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea is sourced from PubChem (CID 55333341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).