2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide

C12H18BrN3O2 — CID 81083240

IUPAC2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cc(Br)ccc1N(C)C
InChIInChI=1S/C12H18BrN3O2/c1-16(2)11-5-4-8(13)6-10(11)15-12(17)9(14)7-18-3/h4-6,9H,7,14H2,1-3H3,(H,15,17)
InChIKeyFTYOCCGBTGJFHX-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.43
Rot. Bonds5

About 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide

2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide (PubChem CID 81083240) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide
PubChem CID81083240
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cc(Br)ccc1N(C)C
InChIInChI=1S/C12H18BrN3O2/c1-16(2)11-5-4-8(13)6-10(11)15-12(17)9(14)7-18-3/h4-6,9H,7,14H2,1-3H3,(H,15,17)
InChIKeyFTYOCCGBTGJFHX-UHFFFAOYSA-N
XLogP1.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[5-bromo-2-(dimethylamino)phenyl]butanamide
CID 79024173
2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide
CID 81082239
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide
CID 43700570
N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196694
N-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide
CID 62639676
N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62833937
2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate
CID 65173773
2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide
CID 120983378
2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide
CID 81082978
2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 81101709
2-amino-N-(2,4-dimethylphenyl)-3-methoxypropanamide
CID 81082397

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide (CID 81083240) is 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide is COCC(N)C(=O)Nc1cc(Br)ccc1N(C)C.
What is the InChIKey of 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide?
The InChIKey is FTYOCCGBTGJFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-16(2)11-5-4-8(13)6-10(11)15-12(17)9(14)7-18-3/h4-6,9H,7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide?
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide has a molecular weight of 316.20 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide is sourced from PubChem (CID 81083240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).