N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide

C18H20BrNO3 — CID 26004861

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)N[C@H](C)c2ccccc2Br)cc1
InChIInChI=1S/C18H20BrNO3/c1-13(16-5-3-4-6-17(16)19)20-18(21)11-12-23-15-9-7-14(22-2)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyVKSZUHIWKNPYEY-CYBMUJFWSA-N
MW378.27 g/mol
LogP4.10
Rot. Bonds7

About N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide

N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide (PubChem CID 26004861) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide
PubChem CID26004861
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)N[C@H](C)c2ccccc2Br)cc1
InChIInChI=1S/C18H20BrNO3/c1-13(16-5-3-4-6-17(16)19)20-18(21)11-12-23-15-9-7-14(22-2)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyVKSZUHIWKNPYEY-CYBMUJFWSA-N
XLogP4.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7965082
[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011242
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 8759784
2-(4-aminophenoxy)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 61117701
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 9220031
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
N-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 55503834
N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16548373
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide
CID 8008912
N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 16548375
4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 100502725

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide (CID 26004861) is N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide is COc1ccc(OCCC(=O)N[C@H](C)c2ccccc2Br)cc1.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide?
The InChIKey is VKSZUHIWKNPYEY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-13(16-5-3-4-6-17(16)19)20-18(21)11-12-23-15-9-7-14(22-2)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide?
N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide has a molecular weight of 378.27 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 26004861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).