N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide

C16H19BrN2O2 — CID 119996539

IUPACN-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
SMILESCC(CN)CNC(=O)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H19BrN2O2/c1-11(8-18)9-19-16(20)10-21-15-5-3-12-6-14(17)4-2-13(12)7-15/h2-7,11H,8-10,18H2,1H3,(H,19,20)
InChIKeyYQMZJOLEUXQAHK-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.69
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide

N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide (PubChem CID 119996539) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
PubChem CID119996539
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC NameN-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
SMILESCC(CN)CNC(=O)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H19BrN2O2/c1-11(8-18)9-19-16(20)10-21-15-5-3-12-6-14(17)4-2-13(12)7-15/h2-7,11H,8-10,18H2,1H3,(H,19,20)
InChIKeyYQMZJOLEUXQAHK-UHFFFAOYSA-N
XLogP2.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 3989542
N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119997634
N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 119996034
N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide
CID 119998062
N-(3-amino-2-methylpropyl)-2-(4-ethylphenoxy)acetamide
CID 119996402
2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N-ethylacetamide
CID 9231222
2-(6-bromonaphthalen-2-yl)oxy-N-(3,5-dimethylphenyl)acetamide
CID 7786804
2-(6-bromonaphthalen-2-yl)oxy-N-[(4-chlorophenyl)methyl]acetamide
CID 7786789
2-naphthalen-2-yloxy-N-[2-[(2-naphthalen-2-yloxyacetyl)amino]propyl]acetamide
CID 3635526
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829879
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 9231224
N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide
CID 115271775

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide (CID 119996539) is N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide is CC(CN)CNC(=O)COc1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide?
The InChIKey is YQMZJOLEUXQAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-11(8-18)9-19-16(20)10-21-15-5-3-12-6-14(17)4-2-13(12)7-15/h2-7,11H,8-10,18H2,1H3,(H,19,20).
What are the key properties of N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide?
N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide has a molecular weight of 351.24 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 119996539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).