1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea

C19H22N2O2 — CID 108906032

IUPAC1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea
SMILESCOc1cccc(/C=C/NC(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C19H22N2O2/c1-23-18-11-5-9-17(15-18)12-14-21-19(22)20-13-6-10-16-7-3-2-4-8-16/h2-5,7-9,11-12,14-15H,6,10,13H2,1H3,(H2,20,21,22)/b14-12+
InChIKeyNLEZXJIGCLIADZ-WYMLVPIESA-N
MW310.40 g/mol
LogP3.60
Rot. Bonds7

About 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea

1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea (PubChem CID 108906032) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea
PubChem CID108906032
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea
SMILESCOc1cccc(/C=C/NC(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C19H22N2O2/c1-23-18-11-5-9-17(15-18)12-14-21-19(22)20-13-6-10-16-7-3-2-4-8-16/h2-5,7-9,11-12,14-15H,6,10,13H2,1H3,(H2,20,21,22)/b14-12+
InChIKeyNLEZXJIGCLIADZ-WYMLVPIESA-N
XLogP3.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate
CID 108905996
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108906013
1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905907
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108906014
N-[(E)-2-(3-methoxyphenyl)ethenyl]benzamide
CID 146295261
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea
CID 108907152
1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905741
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905825
1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
CID 108903141
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108908242
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-methoxypropyl)urea
CID 108906104

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea (CID 108906032) is 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea is COc1cccc(/C=C/NC(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea?
The InChIKey is NLEZXJIGCLIADZ-WYMLVPIESA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-18-11-5-9-17(15-18)12-14-21-19(22)20-13-6-10-16-7-3-2-4-8-16/h2-5,7-9,11-12,14-15H,6,10,13H2,1H3,(H2,20,21,22)/b14-12+.
What are the key properties of 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea?
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea has a molecular weight of 310.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 108906032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).