2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide

C12H17BrN2O2 — CID 63334647

IUPAC2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C12H17BrN2O2/c1-8-3-4-9(7-10(8)13)15-12(16)11(14)5-6-17-2/h3-4,7,11H,5-6,14H2,1-2H3,(H,15,16)
InChIKeySCQRMTLJCSAMRD-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.06
Rot. Bonds5

About 2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide

2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide (PubChem CID 63334647) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide
PubChem CID63334647
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C12H17BrN2O2/c1-8-3-4-9(7-10(8)13)15-12(16)11(14)5-6-17-2/h3-4,7,11H,5-6,14H2,1-2H3,(H,15,16)
InChIKeySCQRMTLJCSAMRD-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide
CID 107574238
4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid
CID 62476287
2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
CID 62472832
2-amino-N-(3-bromo-4-methylphenyl)propanamide
CID 63334898
2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 63334484
(2S)-2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 22691230
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide
CID 62474462
2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide
CID 79734820
4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide
CID 55080716
methyl 3-[(2-amino-4-methoxybutanoyl)amino]benzoate
CID 62475767

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide?
The IUPAC name of 2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide (CID 63334647) is 2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide is COCCC(N)C(=O)Nc1ccc(C)c(Br)c1.
What is the InChIKey of 2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide?
The InChIKey is SCQRMTLJCSAMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8-3-4-9(7-10(8)13)15-12(16)11(14)5-6-17-2/h3-4,7,11H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide?
2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide has a molecular weight of 301.18 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide is sourced from PubChem (CID 63334647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).