1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea

C17H19N3O3 — CID 4516972

IUPAC1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea
SMILESCOc1ccc(C)cc1NC(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C17H19N3O3/c1-12-8-9-15(23-2)14(10-12)18-17(22)20-19-16(21)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeyWRQCSIFHQCHJIP-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.40
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea

1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea (PubChem CID 4516972) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea
PubChem CID4516972
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea
SMILESCOc1ccc(C)cc1NC(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C17H19N3O3/c1-12-8-9-15(23-2)14(10-12)18-17(22)20-19-16(21)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeyWRQCSIFHQCHJIP-UHFFFAOYSA-N
XLogP2.40
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.40
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

1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea
CID 2206228
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea
CID 25237331
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
1-(carbamothioylamino)-3-(2-methoxy-5-methylphenyl)urea
CID 44725083
N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
CID 112998959
3-benzylsulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 8797304
benzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate
CID 124622715
4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746072
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
2-[acetyl(benzyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113161291
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea (CID 4516972) is 1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea is COc1ccc(C)cc1NC(=O)NNC(=O)Cc1ccccc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea?
The InChIKey is WRQCSIFHQCHJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-8-9-15(23-2)14(10-12)18-17(22)20-19-16(21)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,21)(H2,18,20,22).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea?
1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea has a molecular weight of 313.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea is sourced from PubChem (CID 4516972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).