1-butyl-1-[(2-hydroxy-3-methylphenyl)methyl]-3-phenylurea

C19H24N2O2 — CID 46229461

IUPAC1-butyl-1-[(2-hydroxy-3-methylphenyl)methyl]-3-phenylurea
SMILESCCCCN(Cc1cccc(C)c1O)C(=O)Nc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-3-4-13-21(14-16-10-8-9-15(2)18(16)22)19(23)20-17-11-6-5-7-12-17/h5-12,22H,3-4,13-14H2,1-2H3,(H,20,23)
InChIKeyUEBGIRYMJKQKHD-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.53
Rot. Bonds6

About 1-butyl-1-[(2-hydroxy-3-methylphenyl)methyl]-3-phenylurea

1-butyl-1-[(2-hydroxy-3-methylphenyl)methyl]-3-phenylurea (PubChem CID 46229461) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-butyl-1-[(2-hydroxy-3-methylphenyl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-butyl-1-[(2-hydroxy-3-methylphenyl)methyl]-3-phenylurea
PubChem CID46229461
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-butyl-1-[(2-hydroxy-3-methylphenyl)methyl]-3-phenylurea
SMILESCCCCN(Cc1cccc(C)c1O)C(=O)Nc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-3-4-13-21(14-16-10-8-9-15(2)18(16)22)19(23)20-17-11-6-5-7-12-17/h5-12,22H,3-4,13-14H2,1-2H3,(H,20,23)
InChIKeyUEBGIRYMJKQKHD-UHFFFAOYSA-N
XLogP4.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-[(2-hydroxy-3-methylphenyl)methyl]-3-phenylurea?
The IUPAC name of 1-butyl-1-[(2-hydroxy-3-methylphenyl)methyl]-3-phenylurea (CID 46229461) is 1-butyl-1-[(2-hydroxy-3-methylphenyl)methyl]-3-phenylurea.
What is the SMILES notation for 1-butyl-1-[(2-hydroxy-3-methylphenyl)methyl]-3-phenylurea?
The canonical SMILES for 1-butyl-1-[(2-hydroxy-3-methylphenyl)methyl]-3-phenylurea is CCCCN(Cc1cccc(C)c1O)C(=O)Nc1ccccc1.
What is the InChIKey of 1-butyl-1-[(2-hydroxy-3-methylphenyl)methyl]-3-phenylurea?
The InChIKey is UEBGIRYMJKQKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-4-13-21(14-16-10-8-9-15(2)18(16)22)19(23)20-17-11-6-5-7-12-17/h5-12,22H,3-4,13-14H2,1-2H3,(H,20,23).
What are the key properties of 1-butyl-1-[(2-hydroxy-3-methylphenyl)methyl]-3-phenylurea?
1-butyl-1-[(2-hydroxy-3-methylphenyl)methyl]-3-phenylurea has a molecular weight of 312.41 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-[(2-hydroxy-3-methylphenyl)methyl]-3-phenylurea is sourced from PubChem (CID 46229461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).