1-phenylbutan-2-ylurea

C11H16N2O — CID 2852730

IUPAC1-phenylbutan-2-ylurea
SMILESCCC(Cc1ccccc1)NC(N)=O
InChIInChI=1S/C11H16N2O/c1-2-10(13-11(12)14)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H3,12,13,14)
InChIKeyGZHXWVYCJHBMBX-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.68
Rot. Bonds4

About 1-phenylbutan-2-ylurea

1-phenylbutan-2-ylurea (PubChem CID 2852730) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-phenylbutan-2-ylurea.

Molecular Properties

Compound Name1-phenylbutan-2-ylurea
PubChem CID2852730
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-phenylbutan-2-ylurea
SMILESCCC(Cc1ccccc1)NC(N)=O
InChIInChI=1S/C11H16N2O/c1-2-10(13-11(12)14)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H3,12,13,14)
InChIKeyGZHXWVYCJHBMBX-UHFFFAOYSA-N
XLogP1.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenylbutan-2-ylurea?
The IUPAC name of 1-phenylbutan-2-ylurea (CID 2852730) is 1-phenylbutan-2-ylurea.
What is the SMILES notation for 1-phenylbutan-2-ylurea?
The canonical SMILES for 1-phenylbutan-2-ylurea is CCC(Cc1ccccc1)NC(N)=O.
What is the InChIKey of 1-phenylbutan-2-ylurea?
The InChIKey is GZHXWVYCJHBMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-10(13-11(12)14)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H3,12,13,14).
What are the key properties of 1-phenylbutan-2-ylurea?
1-phenylbutan-2-ylurea has a molecular weight of 192.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylbutan-2-ylurea is sourced from PubChem (CID 2852730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).