3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea

C15H23BrN2O2 — CID 110882607

IUPAC3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)NC(CC)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O2/c1-3-9-18(10-11-19)15(20)17-14(4-2)12-5-7-13(16)8-6-12/h5-8,14,19H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyWXYDURKUNJTERK-UHFFFAOYSA-N
MW343.27 g/mol
LogP3.31
Rot. Bonds7

About 3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea

3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea (PubChem CID 110882607) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea
PubChem CID110882607
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)NC(CC)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O2/c1-3-9-18(10-11-19)15(20)17-14(4-2)12-5-7-13(16)8-6-12/h5-8,14,19H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyWXYDURKUNJTERK-UHFFFAOYSA-N
XLogP3.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea
CID 110882611
1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea
CID 173326019
1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 111439127
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide
CID 43011620
3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110896607
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471
3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
N-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47123202
2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide
CID 65224708
3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111117091

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea?
The IUPAC name of 3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea (CID 110882607) is 3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea.
What is the SMILES notation for 3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea?
The canonical SMILES for 3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea is CCCN(CCO)C(=O)NC(CC)c1ccc(Br)cc1.
What is the InChIKey of 3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea?
The InChIKey is WXYDURKUNJTERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-3-9-18(10-11-19)15(20)17-14(4-2)12-5-7-13(16)8-6-12/h5-8,14,19H,3-4,9-11H2,1-2H3,(H,17,20).
What are the key properties of 3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea?
3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea has a molecular weight of 343.27 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea is sourced from PubChem (CID 110882607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).