(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide

C18H20BrNO3 — CID 27823617

IUPAC(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H20BrNO3/c1-13-3-7-16(8-4-13)22-12-11-20-18(21)14(2)23-17-9-5-15(19)6-10-17/h3-10,14H,11-12H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyDINODFRDOHSZLD-CQSZACIVSA-N
MW378.27 g/mol
LogP3.72
Rot. Bonds7

About (2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide

(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide (PubChem CID 27823617) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is (2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
PubChem CID27823617
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H20BrNO3/c1-13-3-7-16(8-4-13)22-12-11-20-18(21)14(2)23-17-9-5-15(19)6-10-17/h3-10,14H,11-12H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyDINODFRDOHSZLD-CQSZACIVSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide
CID 133240246
2-(4-cyanophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51157171
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 132652833
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 30794885
2-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 43915467
2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18113570
N-[2-(4-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162988
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027
2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433897
N-[2-(4-methylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133265071
(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 95161756

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide?
The IUPAC name of (2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide (CID 27823617) is (2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide?
The canonical SMILES for (2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide is Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1.
What is the InChIKey of (2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide?
The InChIKey is DINODFRDOHSZLD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-13-3-7-16(8-4-13)22-12-11-20-18(21)14(2)23-17-9-5-15(19)6-10-17/h3-10,14H,11-12H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide?
(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide has a molecular weight of 378.27 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 27823617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).