N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide

C19H22BrNO3 — CID 42999118

IUPACN-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C)c2ccccc2Br)cc1OC
InChIInChI=1S/C19H22BrNO3/c1-13(15-6-4-5-7-16(15)20)21-19(22)11-9-14-8-10-17(23-2)18(12-14)24-3/h4-8,10,12-13H,9,11H2,1-3H3,(H,21,22)
InChIKeyCRNWPIOZDGDCQD-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.28
Rot. Bonds7

About N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide

N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 42999118) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID42999118
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC NameN-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C)c2ccccc2Br)cc1OC
InChIInChI=1S/C19H22BrNO3/c1-13(15-6-4-5-7-16(15)20)21-19(22)11-9-14-8-10-17(23-2)18(12-14)24-3/h4-8,10,12-13H,9,11H2,1-3H3,(H,21,22)
InChIKeyCRNWPIOZDGDCQD-UHFFFAOYSA-N
XLogP4.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133160279
2-(3,4-dimethoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26883011
N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16548373
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 112764247
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
3-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)-phenylmethyl]propanamide
CID 132763053
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367699
2-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-methylpentanamide
CID 78773055
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9090600
(3S)-3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 51519338
3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 45461382

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide (CID 42999118) is N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NC(C)c2ccccc2Br)cc1OC.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is CRNWPIOZDGDCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-13(15-6-4-5-7-16(15)20)21-19(22)11-9-14-8-10-17(23-2)18(12-14)24-3/h4-8,10,12-13H,9,11H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide?
N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 392.29 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 42999118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).