1,3-dimethyl-1-[1-(4-methylphenyl)-1-phenylbut-3-enyl]urea

C20H24N2O — CID 46236336

IUPAC1,3-dimethyl-1-[1-(4-methylphenyl)-1-phenylbut-3-enyl]urea
SMILESC=CCC(c1ccccc1)(c1ccc(C)cc1)N(C)C(=O)NC
InChIInChI=1S/C20H24N2O/c1-5-15-20(22(4)19(23)21-3,17-9-7-6-8-10-17)18-13-11-16(2)12-14-18/h5-14H,1,15H2,2-4H3,(H,21,23)
InChIKeyQXAKOHZYBMKETG-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.09
Rot. Bonds5

About 1,3-dimethyl-1-[1-(4-methylphenyl)-1-phenylbut-3-enyl]urea

1,3-dimethyl-1-[1-(4-methylphenyl)-1-phenylbut-3-enyl]urea (PubChem CID 46236336) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1,3-dimethyl-1-[1-(4-methylphenyl)-1-phenylbut-3-enyl]urea.

Molecular Properties

Compound Name1,3-dimethyl-1-[1-(4-methylphenyl)-1-phenylbut-3-enyl]urea
PubChem CID46236336
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1,3-dimethyl-1-[1-(4-methylphenyl)-1-phenylbut-3-enyl]urea
SMILESC=CCC(c1ccccc1)(c1ccc(C)cc1)N(C)C(=O)NC
InChIInChI=1S/C20H24N2O/c1-5-15-20(22(4)19(23)21-3,17-9-7-6-8-10-17)18-13-11-16(2)12-14-18/h5-14H,1,15H2,2-4H3,(H,21,23)
InChIKeyQXAKOHZYBMKETG-UHFFFAOYSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.09
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-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea
CID 134998712
4-(4-methylphenyl)hepta-1,6-dien-4-ol
CID 12982478
2-methyl-2-(3-methylphenyl)pent-4-enoic acid
CID 117049190
N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 102294027
methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate
CID 101079952
2-(4-methylphenyl)-2,2-diphenylacetic acid
CID 19733760
(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831
methyl 2-benzyl-2-[(4-methylbenzoyl)amino]pent-4-enoate
CID 102084219
1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea
CID 3417354
ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate
CID 15139256
1-phenylbut-3-ene-1,1-diol
CID 134892936
methyl N-(2,2-diphenylpent-4-enyl)carbamate
CID 135072663

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-[1-(4-methylphenyl)-1-phenylbut-3-enyl]urea?
The IUPAC name of 1,3-dimethyl-1-[1-(4-methylphenyl)-1-phenylbut-3-enyl]urea (CID 46236336) is 1,3-dimethyl-1-[1-(4-methylphenyl)-1-phenylbut-3-enyl]urea.
What is the SMILES notation for 1,3-dimethyl-1-[1-(4-methylphenyl)-1-phenylbut-3-enyl]urea?
The canonical SMILES for 1,3-dimethyl-1-[1-(4-methylphenyl)-1-phenylbut-3-enyl]urea is C=CCC(c1ccccc1)(c1ccc(C)cc1)N(C)C(=O)NC.
What is the InChIKey of 1,3-dimethyl-1-[1-(4-methylphenyl)-1-phenylbut-3-enyl]urea?
The InChIKey is QXAKOHZYBMKETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-5-15-20(22(4)19(23)21-3,17-9-7-6-8-10-17)18-13-11-16(2)12-14-18/h5-14H,1,15H2,2-4H3,(H,21,23).
What are the key properties of 1,3-dimethyl-1-[1-(4-methylphenyl)-1-phenylbut-3-enyl]urea?
1,3-dimethyl-1-[1-(4-methylphenyl)-1-phenylbut-3-enyl]urea has a molecular weight of 308.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-[1-(4-methylphenyl)-1-phenylbut-3-enyl]urea is sourced from PubChem (CID 46236336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).