N-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide

C21H26BrNO3 — CID 60566570

IUPACN-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NC(C)CCc2ccc(Br)cc2)cc(OC)c1
InChIInChI=1S/C21H26BrNO3/c1-15(4-5-16-6-9-18(22)10-7-16)23-21(24)11-8-17-12-19(25-2)14-20(13-17)26-3/h6-7,9-10,12-15H,4-5,8,11H2,1-3H3,(H,23,24)
InChIKeyBSFAWGCFILUZKB-UHFFFAOYSA-N
MW420.35 g/mol
LogP4.54
Rot. Bonds9

About N-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide

N-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide (PubChem CID 60566570) has the molecular formula C21H26BrNO3 and a molecular weight of 420.35 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide
PubChem CID60566570
Molecular FormulaC21H26BrNO3
Molecular Weight420.35 g/mol
Exact Mass419.11
IUPAC NameN-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NC(C)CCc2ccc(Br)cc2)cc(OC)c1
InChIInChI=1S/C21H26BrNO3/c1-15(4-5-16-6-9-18(22)10-7-16)23-21(24)11-8-17-12-19(25-2)14-20(13-17)26-3/h6-7,9-10,12-15H,4-5,8,11H2,1-3H3,(H,23,24)
InChIKeyBSFAWGCFILUZKB-UHFFFAOYSA-N
XLogP4.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 18110876
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 62093484
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30803663
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
CID 40592074
N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
CID 51948784
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
3-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218913
4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride
CID 120590154
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of N-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide (CID 60566570) is N-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide is COc1cc(CCC(=O)NC(C)CCc2ccc(Br)cc2)cc(OC)c1.
What is the InChIKey of N-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is BSFAWGCFILUZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO3/c1-15(4-5-16-6-9-18(22)10-7-16)23-21(24)11-8-17-12-19(25-2)14-20(13-17)26-3/h6-7,9-10,12-15H,4-5,8,11H2,1-3H3,(H,23,24).
What are the key properties of N-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide?
N-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide has a molecular weight of 420.35 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 60566570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).