1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea

C16H24N2O2 — CID 110608624

IUPAC1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea
SMILESCC(CNC(=O)NC1CCOCC1)Cc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-13(11-14-5-3-2-4-6-14)12-17-16(19)18-15-7-9-20-10-8-15/h2-6,13,15H,7-12H2,1H3,(H2,17,18,19)
InChIKeyUZNDXFZSPPKWAP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.34
Rot. Bonds5

About 1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea

1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea (PubChem CID 110608624) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea
PubChem CID110608624
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea
SMILESCC(CNC(=O)NC1CCOCC1)Cc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-13(11-14-5-3-2-4-6-14)12-17-16(19)18-15-7-9-20-10-8-15/h2-6,13,15H,7-12H2,1H3,(H2,17,18,19)
InChIKeyUZNDXFZSPPKWAP-UHFFFAOYSA-N
XLogP2.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea
CID 110356549
1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea
CID 110611113
N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107023317
1-(oxan-4-yl)-3-(4-phenylbutyl)urea
CID 118398503
1-benzyl-3-(2-methyl-3-phenylpropyl)urea
CID 110355137
1-cyclopropyl-3-(2,3-diphenylpropyl)urea
CID 110307425
1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea
CID 100676097
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea
CID 100676156
4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023942
(2S)-2-amino-3-(oxan-4-ylcarbamoylamino)propanoic acid
CID 67154203
1-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(oxan-4-yl)urea
CID 100678473
1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea
CID 100678238

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea?
The IUPAC name of 1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea (CID 110608624) is 1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea?
The canonical SMILES for 1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea is CC(CNC(=O)NC1CCOCC1)Cc1ccccc1.
What is the InChIKey of 1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea?
The InChIKey is UZNDXFZSPPKWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(11-14-5-3-2-4-6-14)12-17-16(19)18-15-7-9-20-10-8-15/h2-6,13,15H,7-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea?
1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea is sourced from PubChem (CID 110608624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).