4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride

C15H24BrClN2O2 — CID 120590154

IUPAC4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(C)CCc1ccc(Br)cc1.Cl
InChIInChI=1S/C15H23BrN2O2.ClH/c1-11(18-15(19)9-14(10-17)20-2)3-4-12-5-7-13(16)8-6-12;/h5-8,11,14H,3-4,9-10,17H2,1-2H3,(H,18,19);1H
InChIKeyOOMMXPUWXDBVGY-UHFFFAOYSA-N
MW379.73 g/mol
LogP2.67
Rot. Bonds8

About 4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride

4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride (PubChem CID 120590154) has the molecular formula C15H24BrClN2O2 and a molecular weight of 379.73 g/mol. Its IUPAC name is 4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride
PubChem CID120590154
Molecular FormulaC15H24BrClN2O2
Molecular Weight379.73 g/mol
Exact Mass378.07
IUPAC Name4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(C)CCc1ccc(Br)cc1.Cl
InChIInChI=1S/C15H23BrN2O2.ClH/c1-11(18-15(19)9-14(10-17)20-2)3-4-12-5-7-13(16)8-6-12;/h5-8,11,14H,3-4,9-10,17H2,1-2H3,(H,18,19);1H
InChIKeyOOMMXPUWXDBVGY-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.73
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120590463
4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride
CID 120593966
4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587047
4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide
CID 120591848
N-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide
CID 60566570
4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
CID 120587327
4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride
CID 120589748
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 103155651
4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide
CID 103156652
4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride
CID 120590624
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-bromobenzoate
CID 2625768

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride (CID 120590154) is 4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)NC(C)CCc1ccc(Br)cc1.Cl.
What is the InChIKey of 4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride?
The InChIKey is OOMMXPUWXDBVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2.ClH/c1-11(18-15(19)9-14(10-17)20-2)3-4-12-5-7-13(16)8-6-12;/h5-8,11,14H,3-4,9-10,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride has a molecular weight of 379.73 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120590154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).