1-(2-phenylethyl)-3-propan-2-ylurea

C12H18N2O — CID 23548379

IUPAC1-(2-phenylethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCc1ccccc1
InChIInChI=1S/C12H18N2O/c1-10(2)14-12(15)13-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,13,14,15)
InChIKeyPSAWVIDTLZCUIF-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.94
Rot. Bonds4

About 1-(2-phenylethyl)-3-propan-2-ylurea

1-(2-phenylethyl)-3-propan-2-ylurea (PubChem CID 23548379) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-propan-2-ylurea
PubChem CID23548379
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(2-phenylethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCc1ccccc1
InChIInChI=1S/C12H18N2O/c1-10(2)14-12(15)13-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,13,14,15)
InChIKeyPSAWVIDTLZCUIF-UHFFFAOYSA-N
XLogP1.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-phenylethyl)-3-propan-2-ylurea (CID 23548379) is 1-(2-phenylethyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-phenylethyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-phenylethyl)-3-propan-2-ylurea is CC(C)NC(=O)NCCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-3-propan-2-ylurea?
The InChIKey is PSAWVIDTLZCUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(2)14-12(15)13-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(2-phenylethyl)-3-propan-2-ylurea?
1-(2-phenylethyl)-3-propan-2-ylurea has a molecular weight of 206.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-propan-2-ylurea is sourced from PubChem (CID 23548379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).