3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea

C15H21BrN2O2 — CID 122150742

IUPAC3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea
SMILESC[C@@H](NC(=O)N(C)CC1CCCO1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-11(12-5-7-13(16)8-6-12)17-15(19)18(2)10-14-4-3-9-20-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,19)/t11-,14?/m1/s1
InChIKeyGMYRNVXTSIQOAD-YNODCEANSA-N
MW341.25 g/mol
LogP3.33
Rot. Bonds4

About 3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea

3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea (PubChem CID 122150742) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea
PubChem CID122150742
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea
SMILESC[C@@H](NC(=O)N(C)CC1CCCO1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-11(12-5-7-13(16)8-6-12)17-15(19)18(2)10-14-4-3-9-20-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,19)/t11-,14?/m1/s1
InChIKeyGMYRNVXTSIQOAD-YNODCEANSA-N
XLogP3.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95568822
3-[1-(4-bromophenyl)ethyl]-1-(cyclohexylmethyl)-1-methylurea
CID 112831842
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 110749026
1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea
CID 86826830
3-methyl-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436226
3-(4-bromo-2,6-dimethylphenyl)-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 51108212
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61433968
3-[2-(4-bromophenoxy)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 86861539
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436490
5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 82848497
1-ethyl-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)urea
CID 86893073

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea (CID 122150742) is 3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea is C[C@@H](NC(=O)N(C)CC1CCCO1)c1ccc(Br)cc1.
What is the InChIKey of 3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea?
The InChIKey is GMYRNVXTSIQOAD-YNODCEANSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-11(12-5-7-13(16)8-6-12)17-15(19)18(2)10-14-4-3-9-20-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,19)/t11-,14?/m1/s1.
What are the key properties of 3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea?
3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea has a molecular weight of 341.25 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 122150742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).