propyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate

C19H22BrNO3 — CID 129163589

IUPACpropyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate
SMILESCCCOC(=O)NCCc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C19H22BrNO3/c1-2-12-23-19(22)21-11-10-16-13-17(20)8-9-18(16)24-14-15-6-4-3-5-7-15/h3-9,13H,2,10-12,14H2,1H3,(H,21,22)
InChIKeyBZBUCKKOIHZPEQ-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.71
Rot. Bonds8

About propyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate

propyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate (PubChem CID 129163589) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is propyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Namepropyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate
PubChem CID129163589
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Namepropyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate
SMILESCCCOC(=O)NCCc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C19H22BrNO3/c1-2-12-23-19(22)21-11-10-16-13-17(20)8-9-18(16)24-14-15-6-4-3-5-7-15/h3-9,13H,2,10-12,14H2,1H3,(H,21,22)
InChIKeyBZBUCKKOIHZPEQ-UHFFFAOYSA-N
XLogP4.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
CID 68634173
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CID 91259991
2-[4-bromo-2-(propylaminomethyl)phenoxy]-N-(2-phenylethyl)acetamide
CID 7027059
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]hexan-1-amine
CID 4716809
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 4715742
2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile
CID 22675467
4-[(4-bromo-2-ethylphenoxy)methyl]benzoic acid
CID 20984290
N-(4-phenylmethoxy-3-propylphenyl)acetamide
CID 57080743
2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone
CID 19910752
benzyl N-[2-(2-iodo-4,5-dimethoxyphenyl)ethyl]carbamate
CID 56697981
ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate
CID 110792453

Frequently Asked Questions

What is the IUPAC name of propyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate?
The IUPAC name of propyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate (CID 129163589) is propyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate.
What is the SMILES notation for propyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate?
The canonical SMILES for propyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate is CCCOC(=O)NCCc1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of propyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate?
The InChIKey is BZBUCKKOIHZPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-2-12-23-19(22)21-11-10-16-13-17(20)8-9-18(16)24-14-15-6-4-3-5-7-15/h3-9,13H,2,10-12,14H2,1H3,(H,21,22).
What are the key properties of propyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate?
propyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate has a molecular weight of 392.29 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 129163589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).