1-benzyl-3-phenyl-1-propan-2-ylurea

C17H20N2O — CID 2732087

IUPAC1-benzyl-3-phenyl-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O/c1-14(2)19(13-15-9-5-3-6-10-15)17(20)18-16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,18,20)
InChIKeyDSFXUNORIKQEKV-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.13
Rot. Bonds4

About 1-benzyl-3-phenyl-1-propan-2-ylurea

1-benzyl-3-phenyl-1-propan-2-ylurea (PubChem CID 2732087) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-benzyl-3-phenyl-1-propan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-phenyl-1-propan-2-ylurea
PubChem CID2732087
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-benzyl-3-phenyl-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O/c1-14(2)19(13-15-9-5-3-6-10-15)17(20)18-16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,18,20)
InChIKeyDSFXUNORIKQEKV-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenyl-1-propan-2-ylurea?
The IUPAC name of 1-benzyl-3-phenyl-1-propan-2-ylurea (CID 2732087) is 1-benzyl-3-phenyl-1-propan-2-ylurea.
What is the SMILES notation for 1-benzyl-3-phenyl-1-propan-2-ylurea?
The canonical SMILES for 1-benzyl-3-phenyl-1-propan-2-ylurea is CC(C)N(Cc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of 1-benzyl-3-phenyl-1-propan-2-ylurea?
The InChIKey is DSFXUNORIKQEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-14(2)19(13-15-9-5-3-6-10-15)17(20)18-16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,18,20).
What are the key properties of 1-benzyl-3-phenyl-1-propan-2-ylurea?
1-benzyl-3-phenyl-1-propan-2-ylurea has a molecular weight of 268.36 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenyl-1-propan-2-ylurea is sourced from PubChem (CID 2732087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).