1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea

C16H19N3O — CID 47134004

IUPAC1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
SMILESCC(NC(=O)NCCc1ccccn1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-13(14-7-3-2-4-8-14)19-16(20)18-12-10-15-9-5-6-11-17-15/h2-9,11,13H,10,12H2,1H3,(H2,18,19,20)
InChIKeyMXOIYGQQQVXFGF-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.68
Rot. Bonds5

About 1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea

1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea (PubChem CID 47134004) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
PubChem CID47134004
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
SMILESCC(NC(=O)NCCc1ccccn1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-13(14-7-3-2-4-8-14)19-16(20)18-12-10-15-9-5-6-11-17-15/h2-9,11,13H,10,12H2,1H3,(H2,18,19,20)
InChIKeyMXOIYGQQQVXFGF-UHFFFAOYSA-N
XLogP2.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183979
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95316769
N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide
CID 3136532
1-[(1S)-1-phenylethyl]-3-[8-[[(1S)-1-phenylethyl]carbamoylamino]octyl]urea
CID 102519107
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
(2S)-4-methoxy-4-oxo-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 63307272
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
(2S)-4-amino-4-oxo-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 63714896
2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 108962105
1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 61346268

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea (CID 47134004) is 1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea is CC(NC(=O)NCCc1ccccn1)c1ccccc1.
What is the InChIKey of 1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is MXOIYGQQQVXFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-13(14-7-3-2-4-8-14)19-16(20)18-12-10-15-9-5-6-11-17-15/h2-9,11,13H,10,12H2,1H3,(H2,18,19,20).
What are the key properties of 1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea?
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 269.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 47134004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).