N-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide

C20H24BrNO3 — CID 18110876

IUPACN-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide
SMILESCCC(NC(=O)CCc1cc(OC)cc(OC)c1)c1ccc(Br)cc1
InChIInChI=1S/C20H24BrNO3/c1-4-19(15-6-8-16(21)9-7-15)22-20(23)10-5-14-11-17(24-2)13-18(12-14)25-3/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,22,23)
InChIKeyARHKJWBHQATTOR-UHFFFAOYSA-N
MW406.32 g/mol
LogP4.67
Rot. Bonds8

About N-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide

N-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide (PubChem CID 18110876) has the molecular formula C20H24BrNO3 and a molecular weight of 406.32 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide
PubChem CID18110876
Molecular FormulaC20H24BrNO3
Molecular Weight406.32 g/mol
Exact Mass405.09
IUPAC NameN-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide
SMILESCCC(NC(=O)CCc1cc(OC)cc(OC)c1)c1ccc(Br)cc1
InChIInChI=1S/C20H24BrNO3/c1-4-19(15-6-8-16(21)9-7-15)22-20(23)10-5-14-11-17(24-2)13-18(12-14)25-3/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,22,23)
InChIKeyARHKJWBHQATTOR-UHFFFAOYSA-N
XLogP4.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide
CID 60566570
3-(3-fluorophenyl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 43035596
3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100592426
N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51187566
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 133210054
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119113378
(2R)-2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367695
3-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218913
4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 43708620
2-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 25494188
2-(4-ethylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133184871

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide (CID 18110876) is N-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide is CCC(NC(=O)CCc1cc(OC)cc(OC)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is ARHKJWBHQATTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO3/c1-4-19(15-6-8-16(21)9-7-15)22-20(23)10-5-14-11-17(24-2)13-18(12-14)25-3/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide?
N-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide has a molecular weight of 406.32 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 18110876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).