3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide

C15H21BrN2O3 — CID 113117035

IUPAC3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
SMILESCOCCN(CCC(=O)Nc1ccc(Br)cc1C)C(C)=O
InChIInChI=1S/C15H21BrN2O3/c1-11-10-13(16)4-5-14(11)17-15(20)6-7-18(12(2)19)8-9-21-3/h4-5,10H,6-9H2,1-3H3,(H,17,20)
InChIKeyPBAVDUURONCOSO-UHFFFAOYSA-N
MW357.25 g/mol
LogP2.58
Rot. Bonds7

About 3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide

3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide (PubChem CID 113117035) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
PubChem CID113117035
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
SMILESCOCCN(CCC(=O)Nc1ccc(Br)cc1C)C(C)=O
InChIInChI=1S/C15H21BrN2O3/c1-11-10-13(16)4-5-14(11)17-15(20)6-7-18(12(2)19)8-9-21-3/h4-5,10H,6-9H2,1-3H3,(H,17,20)
InChIKeyPBAVDUURONCOSO-UHFFFAOYSA-N
XLogP2.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(2-methoxyethyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113116966
3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 113115678
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113166813
3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660
2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113158975
3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113117001
3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113117231
N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide
CID 109036567
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide
CID 113118806
3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113116006
N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide
CID 113136785

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide (CID 113117035) is 3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide is COCCN(CCC(=O)Nc1ccc(Br)cc1C)C(C)=O.
What is the InChIKey of 3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide?
The InChIKey is PBAVDUURONCOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-11-10-13(16)4-5-14(11)17-15(20)6-7-18(12(2)19)8-9-21-3/h4-5,10H,6-9H2,1-3H3,(H,17,20).
What are the key properties of 3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide?
3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide has a molecular weight of 357.25 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide is sourced from PubChem (CID 113117035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).