3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea

C17H19BrN2O — CID 71934381

IUPAC3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea
SMILESC=C(Br)CNC(=O)N(C)CCc1cccc2ccccc12
InChIInChI=1S/C17H19BrN2O/c1-13(18)12-19-17(21)20(2)11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9H,1,10-12H2,2H3,(H,19,21)
InChIKeyUMFIXNITDRIKLO-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.93
Rot. Bonds5

About 3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea

3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea (PubChem CID 71934381) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea.

Molecular Properties

Compound Name3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea
PubChem CID71934381
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea
SMILESC=C(Br)CNC(=O)N(C)CCc1cccc2ccccc12
InChIInChI=1S/C17H19BrN2O/c1-13(18)12-19-17(21)20(2)11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9H,1,10-12H2,2H3,(H,19,21)
InChIKeyUMFIXNITDRIKLO-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea
CID 71925562
(2R)-2-amino-N-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 119309086
4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024923
2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid
CID 122099616
3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide
CID 119758698
1-amino-N-methyl-N-(2-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 115190049
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
CID 115193849
(2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide
CID 94821471
N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide
CID 60619049
2-amino-N-methyl-N-(2-naphthalen-1-ylethyl)pentanamide
CID 119309088
(2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
CID 124726613
2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid
CID 104548567

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea?
The IUPAC name of 3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea (CID 71934381) is 3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea.
What is the SMILES notation for 3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea?
The canonical SMILES for 3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea is C=C(Br)CNC(=O)N(C)CCc1cccc2ccccc12.
What is the InChIKey of 3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea?
The InChIKey is UMFIXNITDRIKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-13(18)12-19-17(21)20(2)11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9H,1,10-12H2,2H3,(H,19,21).
What are the key properties of 3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea?
3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea has a molecular weight of 347.26 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea is sourced from PubChem (CID 71934381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).