2-phenylhexan-2-ylurea

C13H20N2O — CID 121306915

IUPAC2-phenylhexan-2-ylurea
SMILESCCCCC(C)(NC(N)=O)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-3-4-10-13(2,15-12(14)16)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H3,14,15,16)
InChIKeyBUPNPHMSOXPEHZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.76
Rot. Bonds5

About 2-phenylhexan-2-ylurea

2-phenylhexan-2-ylurea (PubChem CID 121306915) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-phenylhexan-2-ylurea.

Molecular Properties

Compound Name2-phenylhexan-2-ylurea
PubChem CID121306915
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-phenylhexan-2-ylurea
SMILESCCCCC(C)(NC(N)=O)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-3-4-10-13(2,15-12(14)16)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H3,14,15,16)
InChIKeyBUPNPHMSOXPEHZ-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
2,2-diphenylhexanamide;hydrochloride
CID 142429226
3-hydroxy-3-phenylheptanamide
CID 11253019
N-(1-amino-2-phenylpropan-2-yl)heptanamide
CID 105060397
calcium;hydride;2-methyl-2-phenylhexanoic acid
CID 175225013
3-butyl-3-phenylheptan-2-one
CID 11776692
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
2-bromo-2-phenylheptanamide
CID 57012582
(2S)-2-phenylhexan-2-amine
CID 10889241
N-[(2R)-2-phenylbutan-2-yl]acetamide
CID 101079586
1,1-diphenylpentan-1-amine
CID 10263654
(2-methyl-2-phenylhexanoyl) 2-methyl-2-phenylhexaneperoxoate
CID 141354518

Frequently Asked Questions

What is the IUPAC name of 2-phenylhexan-2-ylurea?
The IUPAC name of 2-phenylhexan-2-ylurea (CID 121306915) is 2-phenylhexan-2-ylurea.
What is the SMILES notation for 2-phenylhexan-2-ylurea?
The canonical SMILES for 2-phenylhexan-2-ylurea is CCCCC(C)(NC(N)=O)c1ccccc1.
What is the InChIKey of 2-phenylhexan-2-ylurea?
The InChIKey is BUPNPHMSOXPEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-4-10-13(2,15-12(14)16)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H3,14,15,16).
What are the key properties of 2-phenylhexan-2-ylurea?
2-phenylhexan-2-ylurea has a molecular weight of 220.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylhexan-2-ylurea is sourced from PubChem (CID 121306915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).