1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea

C15H23N3O2 — CID 46737750

IUPAC1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea
SMILESCC(C)N(C(=O)Nc1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-11(2)18(14(20)17-15(3,4)5)13(19)16-12-9-7-6-8-10-12/h6-11H,1-5H3,(H,16,19)(H,17,20)
InChIKeyFQHIZMIZGHBDPA-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.44
Rot. Bonds2

About 1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea

1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea (PubChem CID 46737750) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea
PubChem CID46737750
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea
SMILESCC(C)N(C(=O)Nc1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-11(2)18(14(20)17-15(3,4)5)13(19)16-12-9-7-6-8-10-12/h6-11H,1-5H3,(H,16,19)(H,17,20)
InChIKeyFQHIZMIZGHBDPA-UHFFFAOYSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea?
The IUPAC name of 1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea (CID 46737750) is 1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea.
What is the SMILES notation for 1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea?
The canonical SMILES for 1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea is CC(C)N(C(=O)Nc1ccccc1)C(=O)NC(C)(C)C.
What is the InChIKey of 1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea?
The InChIKey is FQHIZMIZGHBDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)18(14(20)17-15(3,4)5)13(19)16-12-9-7-6-8-10-12/h6-11H,1-5H3,(H,16,19)(H,17,20).
What are the key properties of 1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea?
1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea has a molecular weight of 277.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea is sourced from PubChem (CID 46737750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).