N-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylmethoxypropanamide

C18H20BrNO3 — CID 60620947

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylmethoxypropanamide
SMILESCOc1ccc(CNC(=O)C(C)OCc2ccccc2)cc1Br
InChIInChI=1S/C18H20BrNO3/c1-13(23-12-14-6-4-3-5-7-14)18(21)20-11-15-8-9-17(22-2)16(19)10-15/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyVGVDTUXBMRBTBF-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.68
Rot. Bonds7

About N-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylmethoxypropanamide

N-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylmethoxypropanamide (PubChem CID 60620947) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylmethoxypropanamide
PubChem CID60620947
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylmethoxypropanamide
SMILESCOc1ccc(CNC(=O)C(C)OCc2ccccc2)cc1Br
InChIInChI=1S/C18H20BrNO3/c1-13(23-12-14-6-4-3-5-7-14)18(21)20-11-15-8-9-17(22-2)16(19)10-15/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyVGVDTUXBMRBTBF-UHFFFAOYSA-N
XLogP3.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]benzamide
CID 72547442
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-phenylmethoxypropanamide
CID 39943771
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 55419475
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]butanamide
CID 115154174
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
CID 110355750
2-phenylmethoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42959352
N-[(3-bromo-4-methoxyphenyl)methyl]propanamide
CID 110780657
N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide
CID 4981350
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide
CID 132652449
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 119271942
2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride
CID 120983886
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-bromo-4-methoxybenzoate
CID 9309963

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylmethoxypropanamide?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylmethoxypropanamide (CID 60620947) is N-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylmethoxypropanamide.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylmethoxypropanamide?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylmethoxypropanamide is COc1ccc(CNC(=O)C(C)OCc2ccccc2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylmethoxypropanamide?
The InChIKey is VGVDTUXBMRBTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-13(23-12-14-6-4-3-5-7-14)18(21)20-11-15-8-9-17(22-2)16(19)10-15/h3-10,13H,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylmethoxypropanamide?
N-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylmethoxypropanamide has a molecular weight of 378.27 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 60620947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).