1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea

C16H17N3O3 — CID 968636

IUPAC1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea
SMILESCOc1ccc(CC(=O)NNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H17N3O3/c1-22-14-9-7-12(8-10-14)11-15(20)18-19-16(21)17-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,20)(H2,17,19,21)
InChIKeyCSZTWEKYXUMJDW-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.09
Rot. Bonds4

About 1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea

1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea (PubChem CID 968636) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea.

Molecular Properties

Compound Name1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea
PubChem CID968636
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea
SMILESCOc1ccc(CC(=O)NNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H17N3O3/c1-22-14-9-7-12(8-10-14)11-15(20)18-19-16(21)17-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,20)(H2,17,19,21)
InChIKeyCSZTWEKYXUMJDW-UHFFFAOYSA-N
XLogP2.09
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea
CID 4074557
2-[4-(benzylamino)phenyl]-N-(4-methoxyphenyl)acetamide
CID 46045417
N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
CID 42158481
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
2-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide
CID 2372591
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
(Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 92957533
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-(4-methoxyphenyl)acetate
CID 8011578
N-[4-(2-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)acetamide
CID 27901681
N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide
CID 108948790

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea?
The IUPAC name of 1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea (CID 968636) is 1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea.
What is the SMILES notation for 1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea?
The canonical SMILES for 1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea is COc1ccc(CC(=O)NNC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea?
The InChIKey is CSZTWEKYXUMJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-22-14-9-7-12(8-10-14)11-15(20)18-19-16(21)17-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,20)(H2,17,19,21).
What are the key properties of 1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea?
1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea has a molecular weight of 299.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea is sourced from PubChem (CID 968636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).