2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide

C19H22BrNO3 — CID 132659559

IUPAC2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
SMILESCOc1cccc(CCCNC(=O)C(C)Oc2ccc(Br)cc2)c1
InChIInChI=1S/C19H22BrNO3/c1-14(24-17-10-8-16(20)9-11-17)19(22)21-12-4-6-15-5-3-7-18(13-15)23-2/h3,5,7-11,13-14H,4,6,12H2,1-2H3,(H,21,22)
InChIKeyPONLLEALOAGUFF-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.97
Rot. Bonds8

About 2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide

2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide (PubChem CID 132659559) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
PubChem CID132659559
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
SMILESCOc1cccc(CCCNC(=O)C(C)Oc2ccc(Br)cc2)c1
InChIInChI=1S/C19H22BrNO3/c1-14(24-17-10-8-16(20)9-11-17)19(22)21-12-4-6-15-5-3-7-18(13-15)23-2/h3,5,7-11,13-14H,4,6,12H2,1-2H3,(H,21,22)
InChIKeyPONLLEALOAGUFF-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
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

(2R)-2-(4-fluorophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172603
(2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 95091668
(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 28572831
(2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 99952145
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 132653897
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 48586822
2-(2-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
CID 132655789
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide
CID 132658170
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 2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide (CID 132659559) is 2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide is COc1cccc(CCCNC(=O)C(C)Oc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide?
The InChIKey is PONLLEALOAGUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-14(24-17-10-8-16(20)9-11-17)19(22)21-12-4-6-15-5-3-7-18(13-15)23-2/h3,5,7-11,13-14H,4,6,12H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide?
2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide has a molecular weight of 392.29 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide is sourced from PubChem (CID 132659559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).