N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide

C14H20BrNO3 — CID 114155384

IUPACN-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOCC(CBr)NC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C14H20BrNO3/c1-18-10-12(9-15)16-14(17)8-5-11-3-6-13(19-2)7-4-11/h3-4,6-7,12H,5,8-10H2,1-2H3,(H,16,17)
InChIKeyLVXDHJLSCTWKPG-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.15
Rot. Bonds8

About N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide

N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide (PubChem CID 114155384) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide
PubChem CID114155384
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC NameN-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOCC(CBr)NC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C14H20BrNO3/c1-18-10-12(9-15)16-14(17)8-5-11-3-6-13(19-2)7-4-11/h3-4,6-7,12H,5,8-10H2,1-2H3,(H,16,17)
InChIKeyLVXDHJLSCTWKPG-UHFFFAOYSA-N
XLogP2.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 93032401
N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 106184175
N-(1-bromo-3-methoxypropan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 106184806
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 65191439
N-(1-bromo-4-methylpentan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114311652
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
N-(4-hydroxy-1-methoxybutan-2-yl)-3-(4-methylphenyl)propanamide
CID 103799440
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 62093484
N-(4-amino-1-methoxybutan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 106152212
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]butanedioic acid
CID 112732957
N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 79256223

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide (CID 114155384) is N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide is COCC(CBr)NC(=O)CCc1ccc(OC)cc1.
What is the InChIKey of N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is LVXDHJLSCTWKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-18-10-12(9-15)16-14(17)8-5-11-3-6-13(19-2)7-4-11/h3-4,6-7,12H,5,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide?
N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 330.22 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 114155384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).