(6-phenylhexan-3-ylideneamino)urea

C13H19N3O — CID 2750652

IUPAC(6-phenylhexan-3-ylideneamino)urea
SMILESCCC(CCCc1ccccc1)=NNC(N)=O
InChIInChI=1S/C13H19N3O/c1-2-12(15-16-13(14)17)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H3,14,16,17)
InChIKeyNNIWWWCKAPIOEH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.44
Rot. Bonds6

About (6-phenylhexan-3-ylideneamino)urea

(6-phenylhexan-3-ylideneamino)urea (PubChem CID 2750652) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (6-phenylhexan-3-ylideneamino)urea.

Molecular Properties

Compound Name(6-phenylhexan-3-ylideneamino)urea
PubChem CID2750652
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(6-phenylhexan-3-ylideneamino)urea
SMILESCCC(CCCc1ccccc1)=NNC(N)=O
InChIInChI=1S/C13H19N3O/c1-2-12(15-16-13(14)17)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H3,14,16,17)
InChIKeyNNIWWWCKAPIOEH-UHFFFAOYSA-N
XLogP2.44
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-5-phenylpentan-2-ylideneamino]urea
CID 121008889
3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide
CID 6074409
[(E)-decan-4-ylideneamino]urea
CID 121216482
5-phenylpentan-2-one
CID 16701
N-[(E)-heptan-3-ylideneamino]-4-phenylmethoxybenzamide
CID 54784967
[(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea
CID 135699730
[(E)-1-chlorobutan-2-ylideneamino]urea
CID 55303693
3-phenylpropylurea;hydrochloride
CID 174579396
N-(pentan-3-ylideneamino)benzamide
CID 4611553
[(Z)-6-phenylmethoxyhexan-2-ylideneamino]urea
CID 6391406
butylbenzene;carbonic acid
CID 158278492
[(2R)-5-phenylpentan-2-yl]urea
CID 70818024

Frequently Asked Questions

What is the IUPAC name of (6-phenylhexan-3-ylideneamino)urea?
The IUPAC name of (6-phenylhexan-3-ylideneamino)urea (CID 2750652) is (6-phenylhexan-3-ylideneamino)urea.
What is the SMILES notation for (6-phenylhexan-3-ylideneamino)urea?
The canonical SMILES for (6-phenylhexan-3-ylideneamino)urea is CCC(CCCc1ccccc1)=NNC(N)=O.
What is the InChIKey of (6-phenylhexan-3-ylideneamino)urea?
The InChIKey is NNIWWWCKAPIOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-12(15-16-13(14)17)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H3,14,16,17).
What are the key properties of (6-phenylhexan-3-ylideneamino)urea?
(6-phenylhexan-3-ylideneamino)urea has a molecular weight of 233.31 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenylhexan-3-ylideneamino)urea is sourced from PubChem (CID 2750652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).