3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea

C21H24N2O — CID 112831836

IUPAC3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H24N2O/c1-4-15-23(16-5-2)21(24)22-17(3)18-11-13-20(14-12-18)19-9-7-6-8-10-19/h4-14,17H,1-2,15-16H2,3H3,(H,22,24)
InChIKeyOSYIVIOMOZDWQT-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.80
Rot. Bonds7

About 3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea

3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea (PubChem CID 112831836) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea.

Molecular Properties

Compound Name3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea
PubChem CID112831836
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H24N2O/c1-4-15-23(16-5-2)21(24)22-17(3)18-11-13-20(14-12-18)19-9-7-6-8-10-19/h4-14,17H,1-2,15-16H2,3H3,(H,22,24)
InChIKeyOSYIVIOMOZDWQT-UHFFFAOYSA-N
XLogP4.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea
CID 110894923
2-methyl-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 43011131
4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride
CID 119269129
3-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424240
2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid
CID 63064367
3-[ethyl-[1-(4-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62851777
3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424113
1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea
CID 111503985
4-methyl-N-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]benzamide
CID 46578985
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2482590
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55350026

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea?
The IUPAC name of 3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea (CID 112831836) is 3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea.
What is the SMILES notation for 3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea?
The canonical SMILES for 3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea is C=CCN(CC=C)C(=O)NC(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea?
The InChIKey is OSYIVIOMOZDWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-4-15-23(16-5-2)21(24)22-17(3)18-11-13-20(14-12-18)19-9-7-6-8-10-19/h4-14,17H,1-2,15-16H2,3H3,(H,22,24).
What are the key properties of 3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea?
3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea has a molecular weight of 320.44 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea is sourced from PubChem (CID 112831836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).