3-(4-bromophenyl)-N-methoxy-N-methyl-2-(3-methylphenyl)propanamide

C18H20BrNO2 — CID 87237638

IUPAC3-(4-bromophenyl)-N-methoxy-N-methyl-2-(3-methylphenyl)propanamide
SMILESCON(C)C(=O)C(Cc1ccc(Br)cc1)c1cccc(C)c1
InChIInChI=1S/C18H20BrNO2/c1-13-5-4-6-15(11-13)17(18(21)20(2)22-3)12-14-7-9-16(19)10-8-14/h4-11,17H,12H2,1-3H3
InChIKeyJYENEXAKEBVVNF-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.10
Rot. Bonds5

About 3-(4-bromophenyl)-N-methoxy-N-methyl-2-(3-methylphenyl)propanamide

3-(4-bromophenyl)-N-methoxy-N-methyl-2-(3-methylphenyl)propanamide (PubChem CID 87237638) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-methoxy-N-methyl-2-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-methoxy-N-methyl-2-(3-methylphenyl)propanamide
PubChem CID87237638
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name3-(4-bromophenyl)-N-methoxy-N-methyl-2-(3-methylphenyl)propanamide
SMILESCON(C)C(=O)C(Cc1ccc(Br)cc1)c1cccc(C)c1
InChIInChI=1S/C18H20BrNO2/c1-13-5-4-6-15(11-13)17(18(21)20(2)22-3)12-14-7-9-16(19)10-8-14/h4-11,17H,12H2,1-3H3
InChIKeyJYENEXAKEBVVNF-UHFFFAOYSA-N
XLogP4.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-2-(3-methylphenyl)propanoic acid
CID 79431801
[2-(4-bromophenyl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105195534
3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide
CID 161130883
1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one
CID 60798384
1,5-dibromo-2,4-bis(3-methylphenyl)pentan-3-one
CID 151406599
4-(dimethylamino)-3-(3-methylphenyl)butan-2-one
CID 57465216
methyl 3-methoxy-2-(3-methylphenyl)propanoate
CID 117243517
2-(3-bromophenyl)-3-(4-ethylphenyl)propanoic acid
CID 79441100
3-(3-methylphenyl)-2-phenylpropanamide
CID 123295994
2-(3-methylphenyl)-4-phenylbutanoic acid
CID 79436887
methyl 3-(methylamino)-2-(3-methylphenyl)propanoate
CID 117243238
(2R)-4-methoxy-2-(3-methylphenyl)-4-oxobutanoic acid
CID 159328207

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-methoxy-N-methyl-2-(3-methylphenyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)-N-methoxy-N-methyl-2-(3-methylphenyl)propanamide (CID 87237638) is 3-(4-bromophenyl)-N-methoxy-N-methyl-2-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-methoxy-N-methyl-2-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)-N-methoxy-N-methyl-2-(3-methylphenyl)propanamide is CON(C)C(=O)C(Cc1ccc(Br)cc1)c1cccc(C)c1.
What is the InChIKey of 3-(4-bromophenyl)-N-methoxy-N-methyl-2-(3-methylphenyl)propanamide?
The InChIKey is JYENEXAKEBVVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-13-5-4-6-15(11-13)17(18(21)20(2)22-3)12-14-7-9-16(19)10-8-14/h4-11,17H,12H2,1-3H3.
What are the key properties of 3-(4-bromophenyl)-N-methoxy-N-methyl-2-(3-methylphenyl)propanamide?
3-(4-bromophenyl)-N-methoxy-N-methyl-2-(3-methylphenyl)propanamide has a molecular weight of 362.27 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-methoxy-N-methyl-2-(3-methylphenyl)propanamide is sourced from PubChem (CID 87237638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).