(2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide

C20H24BrNO4 — CID 95091668

IUPAC(2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
SMILESCOc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C20H24BrNO4/c1-14(26-17-9-7-16(21)8-10-17)20(23)22-12-4-5-15-6-11-18(24-2)19(13-15)25-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)/t14-/m1/s1
InChIKeyBKBGFKDOPVVTOL-CQSZACIVSA-N
MW422.32 g/mol
LogP3.98
Rot. Bonds9

About (2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide

(2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide (PubChem CID 95091668) has the molecular formula C20H24BrNO4 and a molecular weight of 422.32 g/mol. Its IUPAC name is (2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
PubChem CID95091668
Molecular FormulaC20H24BrNO4
Molecular Weight422.32 g/mol
Exact Mass421.09
IUPAC Name(2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
SMILESCOc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C20H24BrNO4/c1-14(26-17-9-7-16(21)8-10-17)20(23)22-12-4-5-15-6-11-18(24-2)19(13-15)25-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)/t14-/m1/s1
InChIKeyBKBGFKDOPVVTOL-CQSZACIVSA-N
XLogP3.98
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 48586822
(2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 99647029
2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 132659559
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 48586355
(2R)-2-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 51532938
(2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 8624083
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 132658160
2-(4-bromophenoxy)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]propanamide
CID 46477042
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 7415114
2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433897
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide?
The IUPAC name of (2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide (CID 95091668) is (2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide.
What is the SMILES notation for (2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide?
The canonical SMILES for (2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide is COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1OC.
What is the InChIKey of (2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide?
The InChIKey is BKBGFKDOPVVTOL-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24BrNO4/c1-14(26-17-9-7-16(21)8-10-17)20(23)22-12-4-5-15-6-11-18(24-2)19(13-15)25-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide?
(2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide has a molecular weight of 422.32 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide is sourced from PubChem (CID 95091668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).